3-(4-Chlorophenyl)glutaramic acid

Base Information

• Chemical Name: 3-(4-Chlorophenyl)glutaramic acid
• CAS No.: 1141-23-7
• Molecular Formula: C11H12ClNO3
• Molecular Weight: 241.674
• Hs Code.: 2924299090
• European Community (EC) Number: 700-336-4,601-299-6
• UNII: JG2V9C2V9N
• DSSTox Substance ID: DTXSID60405557
• Mol file: 1141-23-7.mol

Synonyms:1141-23-7;3-(4-Chlorophenyl)glutaramic acid;5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid;MFCD00190251;Benzenepropanoic acid, beta-(2-amino-2-oxoethyl)-4-chloro-;(3RS)-5-Amino-3-(4-chlorophenyl)-5-oxopentanoic Acid;Baclofen Imp. B (EP);Baclofen Impurity B;3-(4-Chloro phenyl) Glutaric acid monoamide;b -(4-Chlorophenyl) glutaric acid monoamide;5-amino-3-(4-chlorophenyl)-5-oxopentanoicacid;EC 700-336-4;JG2V9C2V9N;Oprea1_563222;5-amino-3-(4-chlorophenyl)-5-oxo-pentanoic acid;SCHEMBL7822991;AMY3789;DTXSID60405557;3-(p-Chlorophenyl)glutaramic acid;AKOS003237766;AC-19668;DS-10717;SY001982;CS-0151385;FT-0613655;NS00006859;A803137;(3r,s)-5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid;beta-(2-Amino-2-oxoethyl)-4-chlorobenzenepropanoic acid

Chemical Property of 3-(4-Chlorophenyl)glutaramic acid

Chemical Property:

• Vapor Pressure: 1.3E-10mmHg at 25°C
• Melting Point: 168-170 °C
• Refractive Index: 1.578
• Boiling Point: 494.898 °C at 760 mmHg
• Flash Point: 253.106 °C
• PSA: 80.39000
• Density: 1.343 g/cm³
• LogP: 2.47400
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Methanol (Slightly)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 241.0505709
• Heavy Atom Count: 16
• Complexity: 262

Purity/Quality:

99% ^*data from raw suppliers

3-(4-Chlorophenyl)glutaramicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(CC(=O)N)CC(=O)O)Cl
• Uses: 3-(4-Chlorophenyl)glutaramic acids serves as a reagent for the synthesis of heterocyclic compounds as mGlu5 antagonists for treating urinary tract disorders, migraine, and gastroesophageal reflux disease.

Technology Process of 3-(4-Chlorophenyl)glutaramic acid

There total 6 articles about 3-(4-Chlorophenyl)glutaramic 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: 89.5%

4-(4-chlorophenyl)piperidine-2,6-dione (84803-46-3) → 3-(p-chlorophenyl)glutaramic acid (1141-23-7)

Guidance literature:

With sodium hydroxide; In water; at 65 - 70 ℃; for 1.5h;

Reference yield:

3-(p-chlorophenyl)-glutaramide → 3-(p-chlorophenyl)glutaramic acid (1141-23-7)

Guidance literature:

With hydrogenchloride; In water; at 95 ℃;

DOI:10.1002/adsc.201800956

Reference yield:

4-chlorobenzaldehyde (104-88-1) → 3-(p-chlorophenyl)glutaramic acid (1141-23-7)

Guidance literature:

Multi-step reaction with 4 steps

1: diammonium phosphate / water / 5 h / 15 - 20 °C

2: potassium hydroxide / 2 h / 85 - 90 °C

3: urea / 1 h / 130 - 140 °C

4: sodium hydroxide / water / 1.5 h / 65 - 70 °C

With diammonium phosphate; urea; potassium hydroxide; sodium hydroxide; In water;

upstream raw materials:

4-(4-chlorophenyl)piperidine-2,6-dione

4-chlorobenzaldehyde

2-(4-chlorophenylmethylene)acetoacetic acid ethyl ester

3-(4-chlorophenyl)pentane-1,5-dioic acid

Downstream raw materials:

4-amino-3-(4-chlorophenyl)butanoic acid

(R)-(-)-baclofen hydrochloride

(R)-baclofen

Refernces

• 1、 -. "A balufen green industrial production method (by machine translation)". Paragraph 0025; 0030. . Retrieved 2017/05/02.