15678-99-6,MFCD00032565
Catalog No.:AA001OXF

15678-99-6 | N-(tert-Butyl)-2-chloroacetamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$12.00   $8.00
- +
5g
97%
in stock  
$38.00   $27.00
- +
25g
97%
in stock  
$161.00   $113.00
- +
100g
98%
in stock  
$622.00   $435.00
- +
500g
98%
in stock  
$1,986.00   $1,390.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001OXF
Chemical Name:
N-(tert-Butyl)-2-chloroacetamide
CAS Number:
15678-99-6
Molecular Formula:
C6H12ClNO
Molecular Weight:
149.6186
MDL Number:
MFCD00032565
SMILES:
ClCC(=O)NC(C)(C)C
NSC Number:
8361
Properties
Properties
 
BP:
251.6°C at 760 mmHg  
Form:
Solid  
MP:
82-83 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
106  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.1  

Downstream Synthesis Route

[1]LoweIII;Hageman;Drozda;McLean;Bryce;Crawford;Zorn;Morrone;Bordner[JournalofMedicinalChemistry,1994,vol.37,#22,p.3789-3811]

[2]Zwettler,Niklas;Dupé,Antoine;Schachner,JörgA.;Belaj,Ferdinand;Mösch-Zanetti,NadiaC.[InorganicChemistry,2015,vol.54,#24,p.11969-11976]

[3]Qian,Hai-Yan;Wang,Zhi-Long;Pan,You-Lu;Chen,Li-Li;Xie,Xin;Chen,Jian-Zhong[ACSMedicinalChemistryLetters,2017,vol.8,#6,p.678-681]

[4]Qian,Hai-Yan;Wang,Zhi-Long;Chen,Li-Li;Pan,You-Lu;Xie,Xiao-Yu;Xie,Xin;Chen,Jian-Zhong[ChemMedChem,2018,vol.13,#22,p.2455-2463]

[5]Ji,Qinggang;Yang,Dan;Wang,Xin;Chen,Chunyan;Deng,Qiao;Ge,Zhiqiang;Yuan,Lvjiang;Yang,Xiaolan;Liao,Fei[BioorganicandMedicinalChemistry,2014,vol.22,#13,p.3405-3413]

[6]CurrentPatentAssignee:GLOBALBLOODTHERAPEUTICS,INC.-WO2021/222483,2021,A1Locationinpatent:Paragraph849-852

[7]CurrentPatentAssignee:GLOBALBLOODTHERAPEUTICS,INC.-WO2021/222483,2021,A1Locationinpatent:Paragraph849-852

[8]Elmehriki,AdamA.H.;Milne,Mark;Suchy,Mojmir;Bartha,Robert;Hudson,RobertH.E.[CanadianJournalofChemistry,2013,vol.91,#3,p.211-219]

[9]Tayama,Eiji;Sato,Ryota;Takedachi,Keisuke;Iwamoto,Hajime;Hasegawa,Eietsu[Tetrahedron,2012,vol.68,#24,p.4710-4718]

[10]Bambirra;VanLeusen;Meetsma;Hessen;Teuben[ChemicalCommunications,2001,#7,p.637-638]

[11]Speziale;Hamm[JournaloftheAmericanChemicalSociety,1956,vol.78,p.2556,2557]

[12]Lacey,R.N.[JournaloftheChemicalSociety,1960,p.1633-1639]

[13]Yaouanc;Sturtz;Kraus;Chastel;Colin[TetrahedronLetters,1980,vol.21,#28,p.2689-2692]

[14]Chang,Meng-Yang;Chen,Shui-Tein;Chang,Nein-Chen[Tetrahedron,2002,vol.58,#25,p.5075-5080]

[15]Glenny,MarkW.;Lacombe,Marie;Love,JasonB.;Blake,AlexanderJ.;Lindoy,LeonardF.;Luckay,RobertC.;Gloe,Karsten;Antonioli,Bianca;Wilson,Claire;Schroeder,Martin[NewJournalofChemistry,2006,vol.30,#12,p.1755-1767]

[16]CurrentPatentAssignee:MERCK&COINC-WO2007/2361,2007,A2Locationinpatent:Page/Pagecolumn25;26

[17]CurrentPatentAssignee:MERCK&COINC-US2010/222387,2010,A1Locationinpatent:Page/Pagecolumn12-13

[18]Reed,CatherineS.;HuigensIII,RobertW.;Rogers,StevenA.;Melander,Christian[BioorganicandMedicinalChemistryLetters,2010,vol.20,#21,p.6310-6312]

[19]CurrentPatentAssignee:MERCK&COINC-WO2007/2884,2007,A2Locationinpatent:Page/Pagecolumn28-29

[20]Locationinpatent:experimentalpartZhou,Jia-Zhou;Li,Zhu-Bo;Yang,Hao;He,Xiao-Yan;Wang,Li-Ying;Tian,Xiao;Lv,Ting-Ting;Zuo,Hua[AsianJournalofChemistry,2011,vol.23,#7,p.2947-2950]

[21]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-WO2012/40137,2012,A1Locationinpatent:Page/Pagecolumn92-93

[22]CurrentPatentAssignee:UNIVERSITYOFCALIFORNIA-US2013/35325,2013,A1Locationinpatent:Paragraph0453;0454

[23]CurrentPatentAssignee:SANOFI-WO2016/210331,2016,A1Locationinpatent:Paragraph0145;0146

[24]CurrentPatentAssignee:SANOFI-WO2016/210330,2016,A1Locationinpatent:Paragraph0281-0282

[25]CurrentPatentAssignee:ZHEJIANGUNIVERSITY;CHINESEACADEMYOFSCIENCES;ShanghaiInstituteofMateriaMedica(in:CAS)-CN106167497,2016,ALocationinpatent:Paragraph0099;0100

[26]Chang,Ya-Nan;Xiang,Yang;Zhang,Yue-Juan;Wang,Wen-Ming;Chen,Cheng;Oelschlaeger,Peter;Yang,Ke-Wu[ACSMedicinalChemistryLetters,2017,vol.8,#5,p.527-532]

[27]CurrentPatentAssignee:ZHEJIANGUNIVERSITY;ShanghaiInstituteofMateriaMedica(in:CAS);CHINESEACADEMYOFSCIENCES-CN106146414,2016,ALocationinpatent:Paragraph0101;0102;0103

[28]Fang,Zi-Mian;Guo,Deng-Xuan;Ji,Jin;Liu,Li-Wei;Qi,Pu-Ying;Shao,Wu-Bin;Wang,Jin-Jing;Wang,Pei-Yi;Yang,Song;Zhou,Xiang[JournalofAgriculturalandFoodChemistry,2021,vol.69,#50,p.15108-15122]

[29]Bulitta,JürgenB.;Dharuman,Suresh;Lee,RichardE.;Reeve,StephanieM.;Wallace,MirandaJ.[Molecules,2022,vol.27,#5]

[1]Zwettler,Niklas;Dupé,Antoine;Schachner,JörgA.;Belaj,Ferdinand;Mösch-Zanetti,NadiaC.[InorganicChemistry,2015,vol.54,#24,p.11969-11976]

[2]Tsuge,Otohiko;Kanemasa,Shuji;Yoshioka,Manabu[JournalofOrganicChemistry,1988,vol.53,#7,p.1384-1391]

[1]Elmehriki,AdamA.H.;Milne,Mark;Suchy,Mojmir;Bartha,Robert;Hudson,RobertH.E.[CanadianJournalofChemistry,2013,vol.91,#3,p.211-219]

[2]LoweIII;Hageman;Drozda;McLean;Bryce;Crawford;Zorn;Morrone;Bordner[JournalofMedicinalChemistry,1994,vol.37,#22,p.3789-3811]

15678-99-6    23981-47-7   
N-tert-butylcarbamoylmethyl6-methoxy-2-naphthylacetate 

[1]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1995,vol.34,p.408-415

[1]Salehi;Khodaei;Zolfigol;Keyvan[SyntheticCommunications,2001,vol.31,#13,p.1947-1951]

[2]Locationinpatent:experimentalpartBrandt,JohanC.;Elmore,SimonC.;Robinson,RichardI.;Wirth,Thomas[Synlett,2010,#20,p.3099-3103]

[3]Deshmukh,A.R.A.S.;Gumaste,V.K.;Bhawal,B.M.[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1997,vol.36,#4,p.369-371]

[4]Lakouraj;Movassagh;Fasihi[SyntheticCommunications,2000,vol.30,#5,p.821-827]

Literature

Title: Air-stable, convenient to handle Pd based PEPPSI (pyridine enhanced precatalyst preparation, stabilization and initiation) themed precatalysts of N/O-functionalized N-heterocyclic carbenes and its utility in Suzuki-Miyaura cross-coupling reaction.

Journal: Dalton transactions (Cambridge, England : 2003) 20071028

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SDS
Tags:15678-99-6 Molecular Formula|15678-99-6 MDL|15678-99-6 SMILES|15678-99-6 N-(tert-Butyl)-2-chloroacetamide
Catalog No.: AA001OXF
15678-99-6,MFCD00032565
15678-99-6 | N-(tert-Butyl)-2-chloroacetamide
Pack Size: 1g
Purity: 97%
in stock
$12.00 $8.00
Pack Size: 5g
Purity: 97%
in stock
$38.00 $27.00
Pack Size: 25g
Purity: 97%
in stock
$161.00 $113.00
Pack Size: 100g
Purity: 98%
in stock
$622.00 $435.00
Pack Size: 500g
Purity: 98%
in stock
$1,986.00 $1,390.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001OXF
Chemical Name: N-(tert-Butyl)-2-chloroacetamide
CAS Number: 15678-99-6
Molecular Formula: C6H12ClNO
Molecular Weight: 149.6186
MDL Number: MFCD00032565
SMILES: ClCC(=O)NC(C)(C)C
NSC Number: 8361
Properties
BP: 251.6°C at 760 mmHg  
Form: Solid  
MP: 82-83 °C  
Storage: Keep in dry area;2-8℃;  
Complexity: 106  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 2  
XLogP3: 1.1  
Downstream Synthesis Route
75-64-9    79-04-9    15678-99-6 

[1]LoweIII;Hageman;Drozda;McLean;Bryce;Crawford;Zorn;Morrone;Bordner[JournalofMedicinalChemistry,1994,vol.37,#22,p.3789-3811]

[2]Zwettler,Niklas;Dupé,Antoine;Schachner,JörgA.;Belaj,Ferdinand;Mösch-Zanetti,NadiaC.[InorganicChemistry,2015,vol.54,#24,p.11969-11976]

[3]Qian,Hai-Yan;Wang,Zhi-Long;Pan,You-Lu;Chen,Li-Li;Xie,Xin;Chen,Jian-Zhong[ACSMedicinalChemistryLetters,2017,vol.8,#6,p.678-681]

[4]Qian,Hai-Yan;Wang,Zhi-Long;Chen,Li-Li;Pan,You-Lu;Xie,Xiao-Yu;Xie,Xin;Chen,Jian-Zhong[ChemMedChem,2018,vol.13,#22,p.2455-2463]

[5]Ji,Qinggang;Yang,Dan;Wang,Xin;Chen,Chunyan;Deng,Qiao;Ge,Zhiqiang;Yuan,Lvjiang;Yang,Xiaolan;Liao,Fei[BioorganicandMedicinalChemistry,2014,vol.22,#13,p.3405-3413]

[6]CurrentPatentAssignee:GLOBALBLOODTHERAPEUTICS,INC.-WO2021/222483,2021,A1Locationinpatent:Paragraph849-852

[7]CurrentPatentAssignee:GLOBALBLOODTHERAPEUTICS,INC.-WO2021/222483,2021,A1Locationinpatent:Paragraph849-852

[8]Elmehriki,AdamA.H.;Milne,Mark;Suchy,Mojmir;Bartha,Robert;Hudson,RobertH.E.[CanadianJournalofChemistry,2013,vol.91,#3,p.211-219]

[9]Tayama,Eiji;Sato,Ryota;Takedachi,Keisuke;Iwamoto,Hajime;Hasegawa,Eietsu[Tetrahedron,2012,vol.68,#24,p.4710-4718]

[10]Bambirra;VanLeusen;Meetsma;Hessen;Teuben[ChemicalCommunications,2001,#7,p.637-638]

[11]Speziale;Hamm[JournaloftheAmericanChemicalSociety,1956,vol.78,p.2556,2557]

[12]Lacey,R.N.[JournaloftheChemicalSociety,1960,p.1633-1639]

[13]Yaouanc;Sturtz;Kraus;Chastel;Colin[TetrahedronLetters,1980,vol.21,#28,p.2689-2692]

[14]Chang,Meng-Yang;Chen,Shui-Tein;Chang,Nein-Chen[Tetrahedron,2002,vol.58,#25,p.5075-5080]

[15]Glenny,MarkW.;Lacombe,Marie;Love,JasonB.;Blake,AlexanderJ.;Lindoy,LeonardF.;Luckay,RobertC.;Gloe,Karsten;Antonioli,Bianca;Wilson,Claire;Schroeder,Martin[NewJournalofChemistry,2006,vol.30,#12,p.1755-1767]

[16]CurrentPatentAssignee:MERCK&COINC-WO2007/2361,2007,A2Locationinpatent:Page/Pagecolumn25;26

[17]CurrentPatentAssignee:MERCK&COINC-US2010/222387,2010,A1Locationinpatent:Page/Pagecolumn12-13

[18]Reed,CatherineS.;HuigensIII,RobertW.;Rogers,StevenA.;Melander,Christian[BioorganicandMedicinalChemistryLetters,2010,vol.20,#21,p.6310-6312]

[19]CurrentPatentAssignee:MERCK&COINC-WO2007/2884,2007,A2Locationinpatent:Page/Pagecolumn28-29

[20]Locationinpatent:experimentalpartZhou,Jia-Zhou;Li,Zhu-Bo;Yang,Hao;He,Xiao-Yan;Wang,Li-Ying;Tian,Xiao;Lv,Ting-Ting;Zuo,Hua[AsianJournalofChemistry,2011,vol.23,#7,p.2947-2950]

[21]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-WO2012/40137,2012,A1Locationinpatent:Page/Pagecolumn92-93

[22]CurrentPatentAssignee:UNIVERSITYOFCALIFORNIA-US2013/35325,2013,A1Locationinpatent:Paragraph0453;0454

[23]CurrentPatentAssignee:SANOFI-WO2016/210331,2016,A1Locationinpatent:Paragraph0145;0146

[24]CurrentPatentAssignee:SANOFI-WO2016/210330,2016,A1Locationinpatent:Paragraph0281-0282

[25]CurrentPatentAssignee:ZHEJIANGUNIVERSITY;CHINESEACADEMYOFSCIENCES;ShanghaiInstituteofMateriaMedica(in:CAS)-CN106167497,2016,ALocationinpatent:Paragraph0099;0100

[26]Chang,Ya-Nan;Xiang,Yang;Zhang,Yue-Juan;Wang,Wen-Ming;Chen,Cheng;Oelschlaeger,Peter;Yang,Ke-Wu[ACSMedicinalChemistryLetters,2017,vol.8,#5,p.527-532]

[27]CurrentPatentAssignee:ZHEJIANGUNIVERSITY;ShanghaiInstituteofMateriaMedica(in:CAS);CHINESEACADEMYOFSCIENCES-CN106146414,2016,ALocationinpatent:Paragraph0101;0102;0103

[28]Fang,Zi-Mian;Guo,Deng-Xuan;Ji,Jin;Liu,Li-Wei;Qi,Pu-Ying;Shao,Wu-Bin;Wang,Jin-Jing;Wang,Pei-Yi;Yang,Song;Zhou,Xiang[JournalofAgriculturalandFoodChemistry,2021,vol.69,#50,p.15108-15122]

[29]Bulitta,JürgenB.;Dharuman,Suresh;Lee,RichardE.;Reeve,StephanieM.;Wallace,MirandaJ.[Molecules,2022,vol.27,#5]

15678-99-6    71034-40-7 

[1]Zwettler,Niklas;Dupé,Antoine;Schachner,JörgA.;Belaj,Ferdinand;Mösch-Zanetti,NadiaC.[InorganicChemistry,2015,vol.54,#24,p.11969-11976]

[2]Tsuge,Otohiko;Kanemasa,Shuji;Yoshioka,Manabu[JournalofOrganicChemistry,1988,vol.53,#7,p.1384-1391]

15678-99-6    103615-48-1 

[1]Elmehriki,AdamA.H.;Milne,Mark;Suchy,Mojmir;Bartha,Robert;Hudson,RobertH.E.[CanadianJournalofChemistry,2013,vol.91,#3,p.211-219]

[2]LoweIII;Hageman;Drozda;McLean;Bryce;Crawford;Zorn;Morrone;Bordner[JournalofMedicinalChemistry,1994,vol.37,#22,p.3789-3811]

15678-99-6    23981-47-7   
N-tert-butylcarbamoylmethyl6-methoxy-2-naphthylacetate 

[1]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1995,vol.34,p.408-415

107-14-2    75-65-0    15678-99-6 

[1]Salehi;Khodaei;Zolfigol;Keyvan[SyntheticCommunications,2001,vol.31,#13,p.1947-1951]

[2]Locationinpatent:experimentalpartBrandt,JohanC.;Elmore,SimonC.;Robinson,RichardI.;Wirth,Thomas[Synlett,2010,#20,p.3099-3103]

[3]Deshmukh,A.R.A.S.;Gumaste,V.K.;Bhawal,B.M.[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1997,vol.36,#4,p.369-371]

[4]Lakouraj;Movassagh;Fasihi[SyntheticCommunications,2000,vol.30,#5,p.821-827]

Literature fold

Title: Air-stable, convenient to handle Pd based PEPPSI (pyridine enhanced precatalyst preparation, stabilization and initiation) themed precatalysts of N/O-functionalized N-heterocyclic carbenes and its utility in Suzuki-Miyaura cross-coupling reaction.

Journal: Dalton transactions (Cambridge, England : 2003)20071028

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