3,5-Dihydroxybenzamide

Base Information

• Chemical Name: 3,5-Dihydroxybenzamide
• CAS No.: 3147-62-4
• Molecular Formula: C7H7 N O3
• Molecular Weight: 153.137
• Hs Code.: 29242990
• European Community (EC) Number: 221-571-4
• NSC Number: 60729
• UNII: HF3CAA58OW
• DSSTox Substance ID: DTXSID2062870
• Nikkaji Number: J217.301H
• Wikidata: Q72466462
• ChEMBL ID: CHEMBL4293459
• Mol file: 3147-62-4.mol

Synonyms:a-Resorcylamide (6CI,7CI,8CI);3,5-Dihydroxybenzamide; 3,5-Dihydroxybenzoic acid amide; NSC 60729

Chemical Property of 3,5-Dihydroxybenzamide

Chemical Property:

• Vapor Pressure: 8.43E-09mmHg at 25°C
• Melting Point: 270°C (dec.)
• Boiling Point: 452.4°Cat760mmHg
• PKA: 8.75±0.10(Predicted)
• Flash Point: 227.4°C
• PSA: 83.55000
• Density: 1.458g/cm³
• LogP: 0.89700
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 153.042593085
• Heavy Atom Count: 11
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dihydroxybenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1O)O)C(=O)N

Technology Process of 3,5-Dihydroxybenzamide

There total 5 articles about 3,5-Dihydroxybenzamide 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: 20.0%

3,5-diacetoxybenzamide (61227-18-7) → 3,5-dihydroxybenzamide (3147-62-4)

Guidance literature:

With porcine pancreatic lipase; butan-1-ol; In tetrahydrofuran; at 42 - 45 ℃; for 96h;

Reference yield:

3,5-diacetoxybenzoyl chloride (39192-49-9) → 3,5-dihydroxybenzamide (3147-62-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: aq. NH₃ / 2 h / 5 - 25 °C

1.2: Ac₂O; N,N-dimethylaminopyridine

2.1: 20 percent / porcine pancreatic lipase; n-BuOH / tetrahydrofuran / 96 h / 42 - 45 °C

With ammonium hydroxide; porcine pancreatic lipase; butan-1-ol; In tetrahydrofuran;

Reference yield:

3,5-Dihydroxybenzoic acid (99-10-5) → 3,5-dihydroxybenzamide (3147-62-4)

Guidance literature:

Multi-step reaction with 4 steps

1.1: H₂SO₄

2.1: SOCl₂ / 3 h / Heating

3.1: aq. NH₃ / 2 h / 5 - 25 °C

3.2: Ac₂O; N,N-dimethylaminopyridine

4.1: 20 percent / porcine pancreatic lipase; n-BuOH / tetrahydrofuran / 96 h / 42 - 45 °C

With ammonium hydroxide; thionyl chloride; porcine pancreatic lipase; sulfuric acid; butan-1-ol; In tetrahydrofuran;

upstream raw materials:

3,5-diacetoxybenzamide

3,5-diacetoxybenzoyl chloride

3,5-Dihydroxybenzoic acid

3,5-diacetoxybenzoic acid

Refernces

• 1、 Parmar, Virinder S.,Kumar, Ajay,Prasad, Ashok K.,Kumar, Rajesh,Bisht, Kirpal S.,Poonam,Jain, Subhash C.,Olsen, Carl E.. "Novel Enzymatic De-esterification Studies on Substituted Polyacetoxybenzamides". . p. 810 - 822. Retrieved 2007/10/03.