Home Amines 1758-46-9
1758-46-9,MFCD00052975
Catalog No.:AA00214W

1758-46-9 | 2-Phenoxyethylamine

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1g
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$9.00   $7.00
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5g
98%
in stock  
$19.00   $14.00
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10g
98%
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$32.00   $22.00
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25g
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00214W
Chemical Name:
2-Phenoxyethylamine
CAS Number:
1758-46-9
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
MDL Number:
MFCD00052975
SMILES:
NCCOc1ccccc1
Properties
Properties
 
BP:
101-103 °C4 mm Hg(lit.)  
Form:
Liquid  
Refractive Index:
n20/D 1.536(lit.)  
Stability:
Air Sensitive  
Storage:
Light sensitive;Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
79.3  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
0.9  

Downstream Synthesis Route

[1]Valhondo,Margarita;Marco,Isabel;Martín-Fontecha,Mar;Vázquez-Villa,Henar;Ramos,JoséA.;Berkels,Reinhard;Lauterbach,Thomas;Benhamú,Bellinda;López-Rodríguez,MaríaL.[JournalofMedicinalChemistry,2013,vol.56,#20,p.7851-7861]

[2]Brasili,Livio;Sorbi,Claudia;Franchini,Silvia;Manicardi,Massimo;Angeli,Piero;Marucci,Gabriella;Leonardi,Amedeo;Poggesi,Elena[JournalofMedicinalChemistry,2003,vol.46,#8,p.1504-1511]

[3]Uffer;Schlittler[HelveticaChimicaActa,1948,vol.31,p.1397,1399]

[4]CurrentPatentAssignee:CHINAPETROCHEMICALCORPORATION-CN104557610,2018,B

[1]Aldrich-Wright,JaniceR.;Dankers,Christian;Gordon,ChristopherP.;Jurisinec,Ashley;Menti-Platten,Maria;Tadros,Joseph[Chemistry-AnAsianJournal,2022,vol.17,#5]

[2]CurrentPatentAssignee:Marckwald;Chain-DE120047,1800,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.6,p.1158][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.6,p.1158]

[3]HajilooShayegan,Mojtaba;Li,Zhong-Yuan;Cui,Xin[Chemistry-AEuropeanJournal,2022,vol.28,#1]

[1]PharmaceuticalChemistryJournal,1989,vol.23,p.231-234    Khimiko-FarmatsevticheskiiZhurnal,1989,vol.23,p.299-302

[1]CollectionofCzechoslovakChemicalCommunications,1968,vol.33,p.1880-1894

[2]JournaloftheAmericanChemicalSociety,1987,vol.109,p.4036-4046

[3]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.4689-4693

[4]Patent:CN104557610,2018,B.Locationinpatent:Paragraph0272;0279

[1]Locationinpatent:experimentalpartHarjani,JitendraR.;Liang,Chen;Jessop,PhilipG.[JournalofOrganicChemistry,2011,vol.76,#6,p.1683-1691]

[2]Wang,Minghua;Ye,Cheng;Liu,Mingliang;Wu,Zhaoyang;Li,Linhu;Wang,Chunlan;Liu,Xiujun;Guo,Huiyuan[BioorganicandMedicinalChemistryLetters,2015,vol.25,#14,p.2782-2787]

[3]Locationinpatent:experimentalpartCarocci,Alessia;Catalano,Alessia;Lovece,Angelo;Lentini,Giovanni;Duranti,Andrea;Lucini,Valeria;Pannacci,Marilou;Scaglione,Francesco;Franchini,Carlo[BioorganicandMedicinalChemistry,2010,vol.18,#17,p.6496-6511]

[4]Effland;Helsley;Tegeler[JournalofHeterocyclicChemistry,1982,vol.19,#3,p.537-539]

[5]Locationinpatent:experimentalpartShan,Wen-Jun;Huang,Ling;Zhou,Qi;Meng,Fan-Chao;Li,Xing-Shu[EuropeanJournalofMedicinalChemistry,2011,vol.46,#12,p.5885-5893]

[6]Wu,Zhaoyang;Lu,Yu;Li,Linhu;Zhao,Rui;Wang,Bin;Lv,Kai;Liu,Mingliang;You,Xuefu[ACSMedicinalChemistryLetters,2016,vol.7,#12,p.1130-1133]

[7]Chen,Min;Geng,Chun-Wen;Han,Ling;Liu,Yu;Yu,Yong-Kai;Lu,Ai-Min;Yang,Chun-Long;Li,Guo-Hua[NewJournalofChemistry,2021,vol.45,#12,p.5621-5630]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Amiodarone and its putative metabolites fail to activate wild type hTAAR1.

Journal: Bioorganic & medicinal chemistry letters 20091015

Title: Discovery of novel phenethylpyridone derivatives as potent melanin-concentrating hormone 1 receptor antagonists.

Journal: Bioorganic & medicinal chemistry letters 20090901

Title: Switchable V-type [2]pseudorotaxanes.

Journal: Organic letters 20090806

Title: In silico elucidation of the molecular mechanism defining the adverse effect of selective estrogen receptor modulators.

Journal: PLoS computational biology 20071101

Title: New efficient substrates for semicarbazide-sensitive amine oxidase/VAP-1 enzyme: analysis by SARs and computational docking.

Journal: Journal of medicinal chemistry 20061019

Title: QSAR of estrogen receptor modulators: exploring selectivity requirements for ER(alpha) versus ER(beta) binding of tetrahydroisoquinoline derivatives using E-state and physicochemical parameters.

Journal: Bioorganic & medicinal chemistry letters 20050215

Title: Syntheses of 1,4-benzothiazepines and 1,4-benzoxazepines via cyclizations of 1-[2-arylthio(oxy)ethyl]-5-benzotriazolyl-2-pyrrolidinones and 3-benzotriazolyl-2-[2-arylthio(oxy)ethyl]-1-isoindolinones.

Journal: The Journal of organic chemistry 20010810

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