2-amino-2-(3,5-dichlorophenyl)acetic Acid

Base Information

• Chemical Name: 2-amino-2-(3,5-dichlorophenyl)acetic Acid
• CAS No.: 179418-17-8
• Molecular Formula: C₈H₇Cl₂NO₂
• Molecular Weight: 220.055
• DSSTox Substance ID: DTXSID60392291
• Mol file: 179418-17-8.mol

Synonyms:2-amino-2-(3,5-dichlorophenyl)acetic Acid;179418-17-8;AMINO-(3,5-DICHLORO-PHENYL)-ACETIC ACID;SCHEMBL3621314;DTXSID60392291;AKOS010005207;Amino-(3,5-dichlorophenyl)acetic acid;2-amino-2-(3,5-dichlorophenyl)aceticAcid;alpha-Amino-3,5-dichloro-benzeneacetic acid;BB 0249627;Benzeneacetic acid, |A-amino-3,5-dichloro-;CS-0433300;FT-0745849;EN300-149260;N16077

Chemical Property of 2-amino-2-(3,5-dichlorophenyl)acetic Acid

Chemical Property:

• PSA: 63.32000
• LogP: 2.77810
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 218.9853839
• Heavy Atom Count: 13
• Complexity: 191

Purity/Quality:

97% ^*data from raw suppliers

Amino-(3,5-dichloro-phenyl)-aceticacid 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1Cl)Cl)C(C(=O)O)N

Technology Process of 2-amino-2-(3,5-dichlorophenyl)acetic Acid

There total 2 articles about 2-amino-2-(3,5-dichlorophenyl)acetic Acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

C13H16Cl2N2O2 → C8H7Cl2NO2 (179418-17-8)

Guidance literature:

With hydrogenchloride; at 120 ℃; for 0.5h; Microwave irradiation;

DOI:10.1016/j.bmcl.2017.04.048

Reference yield:

3,5-dichlorobenzaldehyde (10203-08-4) → C8H7Cl2NO2 (179418-17-8)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonium formate / 12 h / 65 °C

2: hydrogenchloride / 0.5 h / 120 °C / Microwave irradiation

With hydrogenchloride; ammonium formate;

DOI:10.1016/j.bmcl.2017.04.048

Reference yield:

C8H7Cl2NO2 (179418-17-8) → methyl 2-((2-((5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)(methyl)amino)ethyl)amino)-2-(3,5-dichlorophenyl)acetate

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / 0 - 20 °C

2: N-ethyl-N,N-diisopropylamine; acetic acid; sodium cyanoborohydride / methanol / 20 °C

With thionyl chloride; sodium cyanoborohydride; acetic acid; N-ethyl-N,N-diisopropylamine; In methanol;

DOI:10.1016/j.bmcl.2017.04.048

upstream raw materials:

3,5-dichlorobenzaldehyde

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