4-Chloro-N-hydroxybenzamide

Base Information

• Chemical Name: 4-Chloro-N-hydroxybenzamide
• CAS No.: 1613-88-3
• Molecular Formula: C7H6 Cl N O2
• Molecular Weight: 171.583
• Hs Code.: 2924299090
• European Community (EC) Number: 830-997-5
• UNII: FGV74DKB7G
• DSSTox Substance ID: DTXSID90167111
• Nikkaji Number: J316.687B
• Wikidata: Q27277982
• ChEMBL ID: CHEMBL569419
• Mol file: 1613-88-3.mol

Synonyms:4-Chloro-N-hydroxybenzamide;1613-88-3;4-Chlorobenzenehydroxamic acid;Benzamide, 4-chloro-N-hydroxy-;p-Chlorobenzohydroxamic acid;4-chlorobenzohydroxamic acid;Benzamide,4-chloro-N-hydroxy-;UNII-FGV74DKB7G;FGV74DKB7G;4-chlorobenzenecarbohydroxamic acid;4-Chlorobenzohydroximic acid;SCHEMBL202512;4-Chloro-N-hydroxybenzamide #;CHEMBL569419;DTXSID90167111;4-CHLORO-N-HYDROXY-BENZAMIDE;AKOS000178016;AS-80460;CS-0145140;E79051;EN300-116021;Q27277982;Z59181938

Chemical Property of 4-Chloro-N-hydroxybenzamide

Chemical Property:

• Melting Point: 177 °C
• Boiling Point: °Cat760mmHg
• PKA: 8?+-.0.10(Predicted)
• Flash Point: °C
• PSA: 49.33000
• Density: 1.398g/cm³
• LogP: 1.84990
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 171.0087061
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

99%min ^*data from raw suppliers

4-chloro-N-hydroxybenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)NO)Cl

Technology Process of 4-Chloro-N-hydroxybenzamide

There total 16 articles about 4-Chloro-N-hydroxybenzamide 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: 100.0%

4-chloro-benzoyl chloride (122-01-0) → 4-chloro-N-hydroxybenzamide (1613-88-3)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydrogencarbonate; In water; ethyl acetate; at 20 ℃; for 0.0833333h;

DOI:10.1007/s00775-020-01755-6

Reference yield: 98.0%

4-chlorobenzaldehyde (104-88-1) → 4-chloro-N-hydroxybenzamide (1613-88-3)

Guidance literature:

With polymer-bound N-hydroxybenzenesulfonamide; sodium methylate; In tetrahydrofuran; methanol; at 20 ℃; for 6h;

DOI:10.1021/jo061018g

Reference yield: 95.0%

Methyl 4-chlorobenzoate (1126-46-1) → 4-chloro-N-hydroxybenzamide (1613-88-3)

Guidance literature:

With hydroxylamine hydrochloride; potassium hydroxide; In methanol; at 20 ℃; for 12h; pH=10;

DOI:10.1039/c6ob01178k

upstream raw materials:

Methyl 4-chlorobenzoate

ethyl 4-chlorobenzoate

4-chloro-benzoyl chloride

4-chlorobenzaldehyde

Downstream raw materials:

p-Chlor-benzhydroxamsaeure-O-acetoacetat

O-<4-Chlor-phenylcarbamoyl>-4-chlor-benzhydroxamsaeure

3-(4-chlorophenyl)-5,5-dimethyl-1,4,2-dioxazole

N-(4-chlorobenzoyloxy)-4-chlorobenzamide

Refernces

• 1、 Yang, Zheng-Lin,Xu, Xin-Liang,Chen, Xue-Rong,Mao, Zhi-Feng,Zhou, Yi-Feng. "Silver-Catalyzed Acyl Nitrene Transfer Reactions Involving Dioxazolones: Direct Assembly of N-Acylureas". supporting information. p. 648 - 652. Retrieved 2020/12/21.
• 2、 Zuo, Youpeng,He, Xinwei,Tang, Qiang,Hu, Wangcheng,Zhou, Tongtong,Hu, Wenbo,Shang, Yongjia. "Palladium-Catalyzed 5-exo-dig Cyclization Cascade, Sequential Amination/Etherification for Stereoselective Construction of 3-Methyleneindolinones". supporting information. p. 2117 - 2123. Retrieved 2020/12/22.