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Home Amines 19947-39-8
19947-39-8,MFCD00126370
Catalog No.:AA002C2A

19947-39-8 | 3-Amino-3-(4-chlorophenyl)propanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$12.00   $8.00
- +
5g
98%
in stock  
$13.00   $9.00
- +
10g
98%
in stock  
$25.00   $17.00
- +
25g
98%
in stock  
$58.00   $40.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002C2A
Chemical Name:
3-Amino-3-(4-chlorophenyl)propanoic acid
CAS Number:
19947-39-8
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
MDL Number:
MFCD00126370
SMILES:
NC(c1ccc(cc1)Cl)CC(=O)O
NSC Number:
400947
Properties
Properties
 
BP:
345.8°C at 760 mmHg  
Form:
Solid  
MP:
223 °C (dec.)(lit.)  
Refractive Index:
1.5790 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
179  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
-0.8  

Upstream Synthesis Route

[1]Patent:EP1621529,2006,A1,.Locationinpatent:Page/Pagecolumn31

[2]PreparativeBiochemistryandBiotechnology,2013,vol.43,#2,p.207-216

[3]EuropeanJournalofMedicinalChemistry,2018,vol.156,p.252-268

[4]AdvancedSynthesisandCatalysis,2017,vol.359,#9,p.1570-1576

[5]Heterocycles,1989,vol.28,#2,p.1015-1035

[6]AdvancedSynthesisandCatalysis,2010,vol.352,#2-3,p.395-406

[7]JournaloftheAmericanChemicalSociety,1946,vol.68,p.1137

[8]Arzneimittel-Forschung/DrugResearch,2005,vol.55,#5,p.259-264

[9]AngewandteChemie-InternationalEdition,2005,vol.44,#45,p.7466-7469

[10]JournalofMedicinalChemistry,2001,vol.44,#12,p.1938-1950

[11]EuropeanJournalofOrganicChemistry,2013,#3,p.557-565

[12]BulletinoftheChemicalSocietyofJapan,2013,vol.86,#7,p.870-879

[13]BioorganicandMedicinalChemistry,2015,vol.23,#6,p.1356-1365

[1]AustralianJournalofChemistry,1997,vol.50,#6,p.523-527

[1]AustralianJournalofChemistry,1997,vol.50,#6,p.523-527

[1]JournalofMedicinalChemistry,2013,vol.56,#5,p.2059-2073

[2]Patent:WO2009/47563,2009,A1,.Locationinpatent:Page/Pagecolumn102-103

[1]TetrahedronAsymmetry,1995,vol.6,#7,p.1601-1610

[2]AdvancedSynthesisandCatalysis,2010,vol.352,#9,p.1409-1412

Downstream Synthesis Route

[1]Heterocycles,1989,vol.28,p.1015-1035

[2]JournalofMedicinalChemistry,2010,vol.53,p.1990-1999

[1]BulletindelaSocieteChimiquedeFrance,1987,p.1079-1083

[1]Chemistry-AEuropeanJournal,2014,vol.20,p.11768-11775

[2]AngewandteChemie-InternationalEdition,2005,vol.44,p.7466-7469

[1]AngewandteChemie-InternationalEdition,2005,vol.44,p.7466-7469

[2]Chemistry-AEuropeanJournal,2014,vol.20,p.11768-11775

19947-39-8   
3-benzamido-3-(4-chlorophenyl)propanoicacidallylester 

[1]AngewandteChemie-InternationalEdition,2005,vol.44,p.7466-7469

[2]Chemistry-AEuropeanJournal,2014,vol.20,p.11768-11775

Literature

Title: (2-{[2-Carboxyl-ato-1-(4-chloro-phen-yl)eth-yl]imino-meth-yl}phenolato-κO,N,O')(1H-imidazole-κN)copper(II) monohydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20100501

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SDS
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