4-hydroxybenzoyl Chloride

Base Information

• Chemical Name: 4-hydroxybenzoyl Chloride
• CAS No.: 28141-24-4
• Molecular Formula: C7H5 Cl O2
• Molecular Weight: 156.569
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID70453347
• Nikkaji Number: J898.562F
• Wikidata: Q82274469
• Mol file: 28141-24-4.mol

Synonyms:4-hydroxybenzoyl Chloride;28141-24-4;Benzoyl chloride, 4-hydroxy-;Benzoyl chloride, 4-hydroxy- (9CI);oxybenzoyl chloride;4-Hydroxybenzoic acid chloride;SCHEMBL1454951;DTXSID70453347;YIPHYCQSJTXLFM-UHFFFAOYSA-N;AKOS016371323;FT-0701150

Chemical Property of 4-hydroxybenzoyl Chloride

Chemical Property:

• Boiling Point: 105 °C(Press: 1.5-2.0 Torr)
• PKA: 7.29±0.13(Predicted)
• PSA: 37.30000
• Density: 1.370±0.06 g/cm3(Predicted)
• LogP: 1.77120
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 155.9978071
• Heavy Atom Count: 10
• Complexity: 128

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-HydroxybenzoylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)Cl)O

Technology Process of 4-hydroxybenzoyl Chloride

There total 8 articles about 4-hydroxybenzoyl Chloride 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: 91.0%

4-hydroxy-benzoic acid (99-96-7) → 4-hydroxybenzoyl chloride (28141-24-4)

Guidance literature:

With oxalyl dichloride;

DOI:10.1134/S1070363215090261

Reference yield: 72.0%

2-chloro-1,3-dimethylimidazolinium chloride (37091-73-9) + 1,2-dichloro-ethane (107-06-2,52399-93-6) + 4-hydroxy-benzoic acid (99-96-7) → 4-hydroxybenzoyl chloride (28141-24-4)

Guidance literature:

With triethylamine;

Reference yield:

trifluoroacetic anhydride (407-25-0) + 4-hydroxy-benzoic acid (99-96-7) → 4-hydroxybenzoyl chloride (28141-24-4)

Guidance literature:

trifluoroacetic anhydride; 4-hydroxy-benzoic acid; With triethylamine; In dichloromethane;

With oxalyl dichloride; In dichloromethane; for 0.666667h;

DOI:10.1002/bkcs.11995

upstream raw materials:

4-hydroxy-benzoic acid

phosgene

2-chloro-1,3-dimethylimidazolinium chloride

1,2-dichloro-ethane

Downstream raw materials:

Phenyl 4-hydroxybenzoate

4-(1H-benzimidazol-2-yl)phenol

2-(4-hydroxyphenyl)benzoxazole

2-(4-hydroxyphenyl)benzothiazole

Refernces

• 1、 Li, Zezhong,Xin, Weixiang,Wang, Qing,Zhu, Mingyan,Zhou, Huchen. "Design and synthesis of N-(3-sulfamoylphenyl)amides as Trypanosoma brucei leucyl-tRNA synthetase inhibitors". . . Retrieved 2021/03/16.
• 2、 -. "DIRECTED CONJUGATION TECHNOLOGIES". Paragraph 0755. . Retrieved 2021/05/29.