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Home Amines 180976-94-7
180976-94-7,MFCD02682225
Catalog No.:AA0022FA

180976-94-7 | Boc-4-amino-3-methylbenzoic acid

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1g
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$142.00   $100.00
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0022FA
Chemical Name:
Boc-4-amino-3-methylbenzoic acid
CAS Number:
180976-94-7
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
MDL Number:
MFCD02682225
SMILES:
O=C(OC(C)(C)C)Nc1ccc(cc1C)C(=O)O
Properties
Computed Properties
 
Complexity:
321  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
2.3  

Upstream Synthesis Route

[1]BioorganicandMedicinalChemistry,1999,vol.7,#12,p.3011-3024

[1]Patent:US5965539,1999,A,

[2]Patent:US5834434,1998,A,

Downstream Synthesis Route

[1]BioorganicandMedicinalChemistry,1999,vol.7,p.3011-3024

[1]BioorganicandMedicinalChemistry,1999,vol.7,p.3011-3024

180976-94-7   
(S)-2-(4-Amino-3-methyl-benzoylamino)-4-methylsulfanyl-butyricacidmethylester;hydrochloride 

[1]BioorganicandMedicinalChemistry,1999,vol.7,p.3011-3024

[1]BioorganicandMedicinalChemistry,1999,vol.7,p.3011-3024

180976-94-7   
(S)-2-4-((R)-2-tert-Butoxycarbonylamino-3-tritylsulfanyl-propionylamino)-3-methyl-benzoylamino-4-methylsulfanyl-butyricacid 

[1]BioorganicandMedicinalChemistry,1999,vol.7,p.3011-3024

Literature
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SDS
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Tags:180976-94-7 Molecular Formula|180976-94-7 MDL|180976-94-7 SMILES|180976-94-7 Boc-4-amino-3-methylbenzoic acid