3-Amino-4-chlorophenylboronic acid

Base Information

• Chemical Name: 3-Amino-4-chlorophenylboronic acid
• CAS No.: 850689-36-0
• Molecular Formula: C6H7BClNO2
• Molecular Weight: 171.39
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID50402116
• Wikidata: Q82205487
• Mol file: 850689-36-0.mol

Synonyms:3-AMINO-4-CHLOROPHENYLBORONIC ACID;850689-36-0;(3-amino-4-chlorophenyl)boronic acid;Boronic acid, (3-amino-4-chlorophenyl)-;SCHEMBL1529238;DTXSID50402116;CSGAGFPHVVBHDF-UHFFFAOYSA-N;(3-amino-4-chlorophenyl)boronicacid;MFCD03095254;AKOS006230303;AB13618;BS-22339;CS-0174301;3-Amino-4-chlorophenylboronic acid, AldrichCPR;E89670;EN300-189972;A863725;Z1198161577

Chemical Property of 3-Amino-4-chlorophenylboronic acid

Chemical Property:

• Boiling Point: 372.9±52.0 °C(Predicted)
• PKA: 8.32±0.10(Predicted)
• PSA: 66.48000
• Density: 1.40±0.1 g/cm3(Predicted)
• LogP: 0.18320
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 171.0258363
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

97% ^*data from raw suppliers

3-Amino-4-chlorophenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Amino-4-chlorophenylboronic acid

There total 1 articles about 3-Amino-4-chlorophenylboronic 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: 65.0%

→ (3-amino-4-chlorophenyl)boronic acid (850689-36-0)

Guidance literature:

With sodium hydroxide; In water; at 0 - 5 ℃; pH=7.2;

Reference yield: 56.0%

(3-amino-4-chlorophenyl)boronic acid (850689-36-0) + nitromethane (75-52-5) → 6-chloro-3-(methylamino)aniline

Guidance literature:

With 1,2,2,3,4,4-hexamethylphosphetane 1-oxide; diphenylsilane; at 120 ℃; for 36h; chemoselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1021/jacs.0c08035

Reference yield: 38.0%

(3-amino-4-chlorophenyl)boronic acid (850689-36-0) + methyl (4-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)bicyclo[2.2.2]octan-1-yl)carbamate → methyl (4-(4-amino-5-(3-amino-4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)bicyclo[2.2.2]octan-1-yl)carbamate

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; sodium carbonate; In 1,2-dimethoxyethane; water; at 120 ℃; for 1h; Inert atmosphere; Microwave irradiation;

DOI:10.1021/acsmedchemlett.1c00450

Downstream raw materials:

4-chloro-3-(4-(pyridin-2-ylmethoxy)benzamido)phenylboronic acid

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