(4-Chloro-phenyl)-dimethylamino-acetic acid

Base Information

• Chemical Name: (4-Chloro-phenyl)-dimethylamino-acetic acid
• CAS No.: 6327-71-5
• Molecular Formula: C10H12 Cl N O2
• Molecular Weight: 213.664
• Hs Code.: 2922499990
• NSC Number: 50379
• DSSTox Substance ID: DTXSID40287333

Synonyms:6327-71-5;(4-Chloro-phenyl)-dimethylamino-acetic acid;2-(4-chlorophenyl)-2-(dimethylamino)acetic acid;NSC 50379;NSC50379;SCHEMBL755751;DTXSID40287333;HMS1697E03;MFCD07801112;NSC-50379;AKOS000302902;AKOS016051258;1-(TRICHLOROMETHYL)BUTYLACETATE;(4-chlorophenyl)dimethylaminoacetic acid;AM804169;AS-43722;2-(4-chlorophenyl)-2-dimethylaminoacetic acid;EN300-111083;BRD-A31851303-001-01-8;Z270828822

Chemical Property of (4-Chloro-phenyl)-dimethylamino-acetic acid

Chemical Property:

• Vapor Pressure: 0.000502mmHg at 25°C
• Boiling Point: 300.3°Cat760mmHg
• Flash Point: 135.4°C
• PSA: 40.54000
• Density: 1.257g/cm³
• LogP: 2.02730
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 213.0556563
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

2-(4-Chlorophenyl)-2-(dimethylamino)aceticAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(C1=CC=C(C=C1)Cl)C(=O)O

Technology Process of (4-Chloro-phenyl)-dimethylamino-acetic acid

There total 5 articles about (4-Chloro-phenyl)-dimethylamino-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: 81.5%

methyl 2-(4-chlorophenyl)-2-(dimethylamino)acetate → 2-(4-chlorophenyl)-2-(dimethylamino)acetic acid (6327-71-5)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 20 ℃; for 4h;

Reference yield:

(4-chloro-phenyl)-acetic acid methyl ester (52449-43-1) → 2-(4-chlorophenyl)-2-(dimethylamino)acetic acid (6327-71-5)

Guidance literature:

Multi-step reaction with 3 steps

1: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / tetrachloromethane / 2 h / Reflux

2: N-ethyl-N,N-diisopropylamine / acetonitrile / 4 h / 80 °C

3: sodium hydroxide; water / ethanol / 4 h

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); water; N-ethyl-N,N-diisopropylamine; sodium hydroxide; In tetrachloromethane; ethanol; acetonitrile;

DOI:10.1016/j.bioorg.2020.103671

Reference yield:

4-chlorophenylacetic Acid (1878-66-6) → 2-(4-chlorophenyl)-2-(dimethylamino)acetic acid (6327-71-5)

Guidance literature:

Multi-step reaction with 4 steps

1: sulfuric acid / 5 h / 60 °C

2: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / tetrachloromethane / 2 h / Reflux

3: N-ethyl-N,N-diisopropylamine / acetonitrile / 4 h / 80 °C

4: sodium hydroxide; water / ethanol / 4 h

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); sulfuric acid; water; N-ethyl-N,N-diisopropylamine; sodium hydroxide; In tetrachloromethane; ethanol; acetonitrile;

DOI:10.1016/j.bioorg.2020.103671

upstream raw materials:

4-chlorophenylacetic Acid

(4-chloro-phenyl)-acetic acid methyl ester

methyl 2-bromo-2-(4-chlorophenyl)acetate

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