3-Hydroxybenzamide

Base Information

• Chemical Name: 3-Hydroxybenzamide
• CAS No.: 618-49-5
• Molecular Formula: C7H7NO2
• Molecular Weight: 137.138
• Hs Code.: 2924299090
• European Community (EC) Number: 815-329-2
• NSC Number: 379289
• UNII: 75X4NC5TNX
• DSSTox Substance ID: DTXSID90321635
• Nikkaji Number: J94.904C
• Wikidata: Q72483207
• ChEMBL ID: CHEMBL419424
• Mol file: 618-49-5.mol

Synonyms:3-hydroxybenzamide;618-49-5;benzamide, 3-hydroxy-;3-Hydroxy-benzamide;3-hydroxybenzenecarboxamide;CHEMBL419424;NSC-379289;m-hydroxybenzamide;NSC379289;Benzamide, m-hydroxy-;3-OXIDANYLBENZAMIDE;D05ZTI;75X4NC5TNX;Oprea1_435073;SCHEMBL161861;3-Hydroxybenzamide, AldrichCPR;DTXSID90321635;3-HYDROXY-BENZOIC ACID,AMIDE;BDBM50068769;MFCD00017572;AKOS000207073;MB00281;SR-4267;NCGC00323509-01;SY004825;CS-0149666;FT-0600531;H1643;EN300-36686;C75901;AB01155218-03;A833450;AE-562/40219001;Z33546460

Chemical Property of 3-Hydroxybenzamide

Chemical Property:

• Vapor Pressure: 0.000195mmHg at 25°C
• Melting Point: 170 °C
• Refractive Index: 1.612
• Boiling Point: 318.3 °C at 760 mmHg
• PKA: 9.26±0.10(Predicted)
• Flash Point: 146.3 °C
• PSA: 63.32000
• Density: 1.286 g/cm³
• LogP: 1.19140
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 137.047678466
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

99.5% ^*data from raw suppliers

3-Hydroxybenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Hydroxybenzamide

There total 21 articles about 3-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: 97.0%

m-cyanophenol (873-62-1) → 3-hydroxybenzamide (618-49-5)

Guidance literature:

With water; at 120 ℃; for 32h; Inert atmosphere;

DOI:10.1039/c4ra15682j

Reference yield: 97.0%

→ 3-hydroxybenzamide (618-49-5)

Guidance literature:

With tetrabutylammomium bromide; ammonia; caesium carbonate; In water; for 0.333333h; Microwave irradiation;

Reference yield: 94.0%

meta-hydroxybenzaldehyde (100-83-4) → 3-hydroxybenzamide (618-49-5)

Guidance literature:

With aluminum oxide; hydroxylamine hydrochloride; methanesulfonyl chloride; water; at 100 ℃; for 1h;

DOI:10.1016/S0040-4020(02)01417-5

upstream raw materials:

3-hydroxybenzoyl chloride

methyl 3-hydroxybenzoate

ethyl-3-hydroxybenzoate

3-(chlorocarbonyl)phenyl acetate

Downstream raw materials:

NU 1038

3-decyloxybenzamide

C₁₉H₃₁NO₂

Refernces

• 1、 Bahreininejad, Mohammad Hasan,Moeinpour, Farid. "Green and efficient Beckmann rearrangement by Cu(II) contained nano-silica triazine based dendrimer in water". . p. 893 - 901. Retrieved 2021/01/12.
• 2、 Vyas, Komal M.,Mandal, Poulami,Singh, Rinky,Mobin, Shaikh M.,Mukhopadhyay, Suman. "Arene-ruthenium(II)-phosphine complexes: Green catalysts for hydration of nitriles under mild conditions". . . Retrieved 2019/12/11.