Methyl 4-aminobenzoate hydrochloride

Base Information

• Chemical Name: Methyl 4-aminobenzoate hydrochloride
• CAS No.: 63450-84-0
• Deprecated CAS: 2375744-92-4
• Molecular Formula: C8H10ClNO2
• Molecular Weight: 187.626
• Hs Code.: 2916399090
• European Community (EC) Number: 264-184-6
• DSSTox Substance ID: DTXSID9069841
• Mol file: 63450-84-0.mol

Synonyms:methyl 4-aminobenzoate;methyl 4-aminobenzoate hydrobromide;methyl 4-aminobenzoate hydrochloride;methyl 4-aminobenzoate sulfate (2:1);p-aminobenzoic acid methyl ester

Chemical Property of Methyl 4-aminobenzoate hydrochloride

Chemical Property:

• Melting Point: 208 °C
• Boiling Point: 299.2 °C at 760 mmHg
• Flash Point: 154.9 °C
• PSA: 52.32000
• Density: 1.166g/cm3
• LogP: 2.43860
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 187.0400063
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

98%Min ^*data from raw suppliers

Methyl4-AminobenzoateHydrochloride ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)N.Cl

Technology Process of Methyl 4-aminobenzoate hydrochloride

There total 8 articles about Methyl 4-aminobenzoate hydrochloride 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: 99.9%

chloro-N-(4-methoxycarbonylphenyl)acetamide (82525-64-2) → methyl 4-aminobenzoate hydrochloride (63450-84-0)

Guidance literature:

With thionyl chloride; In methanol; for 2h; Reflux;

DOI:10.1007/s11164-011-0327-6

Reference yield: 98.8%

methyl 4-acetamidobenzoate (17012-22-5) → methyl 4-aminobenzoate hydrochloride (63450-84-0)

Guidance literature:

With thionyl chloride; In methanol; for 3h; Reflux;

DOI:10.1007/s11164-011-0327-6

Reference yield: 97.0%

4-nitrobenzoic acid methyl ester (619-50-1) → methyl 4-aminobenzoate hydrochloride (63450-84-0)

Guidance literature:

With iododioxobis(triphenylphosphine)rhenium(V); Dimethylphenylsilane; In toluene; for 1h; chemoselective reaction; Reflux;

DOI:10.1021/jo9008657

upstream raw materials:

methanol

4-amino-benzoic acid

4-nitrobenzoic acid methyl ester

methyl 4-acetamidobenzoate

Downstream raw materials:

4-{8-[((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-Acetoxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-icosahydro-cyclopenta[a]chrysene-3a-carbonyl)-amino]-octanoylamino}-benzoic acid methyl ester

(S)-methyl 4-(2-(2-naphthamido)-2-phenylacetamido)benzoate

(S)-methyl 4-(2-(4-fluorobenzamido)-2-phenylacetamido)benzoate

(S)-methyl 4-(2-(naphthalene-1-sulfonamido)-2-phenylacetamido)benzoate

Refernces

• 1、 Gudun, Kristina A.,Hayrapetyan, Davit,Khalimon, Andrey Y.,Segizbayev, Medet,Slamova, Ainur,Zakarina, Raikhan. "Cobalt-Catalyzed Deoxygenative Hydroboration of Nitro Compounds and Applications to One-Pot Synthesis of Aldimines and Amides". . . Retrieved 2021/11/30.
• 2、 Zhang, Lihui,Li, Xiaoyang,Chen, Yiming,Wan, Minghui,Jiang, Qixiao,Zhang, Li,James Chou,Song, Weiguo,Zhang, Lei. "Discovery of N-(2-aminophenyl)-4-(bis(2-chloroethyl)amino)benzamide as a potent histone deacetylase inhibitor". . . Retrieved 2019/09/18.