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167678-46-8,MFCD02094037
Catalog No.:AA001XG0

167678-46-8 | 3-(Chlorocarbonyl)-2-methylphenyl acetate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
97%
in stock  
$15.00   $11.00
- +
25g
97%
in stock  
$46.00   $32.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001XG0
Chemical Name:
3-(Chlorocarbonyl)-2-methylphenyl acetate
CAS Number:
167678-46-8
Molecular Formula:
C10H9ClO3
Molecular Weight:
212.6297
MDL Number:
MFCD02094037
SMILES:
CC(=O)Oc1cccc(c1C)C(=O)Cl
Properties
Properties
 
BP:
295.6°C at 760 mmHg  
Form:
Solid  
Storage:
Room Temperature;Inert atmosphere;  

Computed Properties
 
Complexity:
240  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Downstream Synthesis Route
167678-46-8   
(5R,6S)-6-amino-2,2-dimethyl-1,3-dioxepan-5-olacetate 
  188936-02-9 

[1]Inaba,Takashi;Birchler,AngelaG.;Yamada,Yasuki;Sagawa,Shoichi;Yokota,Katsuyuki;Ando,Koji;Uchida,Itsuo[JournalofOrganicChemistry,1998,vol.63,#22,p.7582-7583]

167678-46-8   
(3S,4aS,8aS)-2-((2S,3S)-3-Amino-2-hydroxy-4-phenylsulfanyl-butyl)-decahydro-isoquinoline-3-carboxylicacidtert-butylamide 
 
Aceticacid3-(1S,2S)-3-((3S,4aS,8aS)-3-tert-butylcarbamoyl-octahydro-isoquinolin-2-yl)-2-hydroxy-1-phenylsulfanylmethyl-propylcarbamoyl-2-methyl-phenylester 

[1]Inaba,Takashi;Yamada,Yasuki;Abe,Hiroyuki;Sagawa,Shoichi;Cho,Hidetsura[JournalofOrganicChemistry,2000,vol.65,#6,p.1623-1628]

167678-46-8    265135-71-5   
Aceticacid3-(1R,2S)-3-((3S,4aS,8aS)-3-tert-butylcarbamoyl-octahydro-isoquinolin-2-yl)-2-hydroxy-1-phenylsulfanylmethyl-propylcarbamoyl-2-methyl-phenylester 

[1]Inaba,Takashi;Yamada,Yasuki;Abe,Hiroyuki;Sagawa,Shoichi;Cho,Hidetsura[JournalofOrganicChemistry,2000,vol.65,#6,p.1623-1628]

167678-46-8    159991-25-0   
Aceticacid3-(1S,2R)-3-((3S,4aS,8aS)-3-tert-butylcarbamoyl-octahydro-isoquinolin-2-yl)-2-hydroxy-1-phenylsulfanylmethyl-propylcarbamoyl-2-methyl-phenylester 

[1]Inaba,Takashi;Yamada,Yasuki;Abe,Hiroyuki;Sagawa,Shoichi;Cho,Hidetsura[JournalofOrganicChemistry,2000,vol.65,#6,p.1623-1628]

108-24-7    167678-46-8   
(3R,4S)4-Amino-tetrahydro-furan-3-oltoluene-4-sulfonicacidsalt 
  188936-06-3 

[1]Zook;Busse;Borer[TetrahedronLetters,2000,vol.41,#36,p.7017-7021]

Literature
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SDS
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Tags:167678-46-8 Molecular Formula|167678-46-8 MDL|167678-46-8 SMILES|167678-46-8 3-(Chlorocarbonyl)-2-methylphenyl acetate
Catalog No.: AA001XG0
167678-46-8,MFCD02094037
167678-46-8 | 3-(Chlorocarbonyl)-2-methylphenyl acetate
Pack Size： 5g
Purity： 97%
in stock
$15.00 $11.00
Pack Size： 25g
Purity： 97%
in stock
$46.00 $32.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001XG0
Chemical Name: 3-(Chlorocarbonyl)-2-methylphenyl acetate
CAS Number: 167678-46-8
Molecular Formula: C10H9ClO3
Molecular Weight: 212.6297
MDL Number: MFCD02094037
SMILES: CC(=O)Oc1cccc(c1C)C(=O)Cl
Properties
BP: 295.6°C at 760 mmHg  
Form: Solid  
Storage: Room Temperature;Inert atmosphere;  
Complexity: 240  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
Downstream Synthesis Route
167678-46-8   
(5R,6S)-6-amino-2,2-dimethyl-1,3-dioxepan-5-olacetate 
  188936-02-9 

[1]Inaba,Takashi;Birchler,AngelaG.;Yamada,Yasuki;Sagawa,Shoichi;Yokota,Katsuyuki;Ando,Koji;Uchida,Itsuo[JournalofOrganicChemistry,1998,vol.63,#22,p.7582-7583]

167678-46-8   
(3S,4aS,8aS)-2-((2S,3S)-3-Amino-2-hydroxy-4-phenylsulfanyl-butyl)-decahydro-isoquinoline-3-carboxylicacidtert-butylamide 
 
Aceticacid3-(1S,2S)-3-((3S,4aS,8aS)-3-tert-butylcarbamoyl-octahydro-isoquinolin-2-yl)-2-hydroxy-1-phenylsulfanylmethyl-propylcarbamoyl-2-methyl-phenylester 

[1]Inaba,Takashi;Yamada,Yasuki;Abe,Hiroyuki;Sagawa,Shoichi;Cho,Hidetsura[JournalofOrganicChemistry,2000,vol.65,#6,p.1623-1628]

167678-46-8    265135-71-5   
Aceticacid3-(1R,2S)-3-((3S,4aS,8aS)-3-tert-butylcarbamoyl-octahydro-isoquinolin-2-yl)-2-hydroxy-1-phenylsulfanylmethyl-propylcarbamoyl-2-methyl-phenylester 

[1]Inaba,Takashi;Yamada,Yasuki;Abe,Hiroyuki;Sagawa,Shoichi;Cho,Hidetsura[JournalofOrganicChemistry,2000,vol.65,#6,p.1623-1628]

167678-46-8    159991-25-0   
Aceticacid3-(1S,2R)-3-((3S,4aS,8aS)-3-tert-butylcarbamoyl-octahydro-isoquinolin-2-yl)-2-hydroxy-1-phenylsulfanylmethyl-propylcarbamoyl-2-methyl-phenylester 

[1]Inaba,Takashi;Yamada,Yasuki;Abe,Hiroyuki;Sagawa,Shoichi;Cho,Hidetsura[JournalofOrganicChemistry,2000,vol.65,#6,p.1623-1628]

108-24-7    167678-46-8   
(3R,4S)4-Amino-tetrahydro-furan-3-oltoluene-4-sulfonicacidsalt 
  188936-06-3 

[1]Zook;Busse;Borer[TetrahedronLetters,2000,vol.41,#36,p.7017-7021]

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