2,4-Dihydroxybenzamide

Base Information

• Chemical Name: 2,4-Dihydroxybenzamide
• CAS No.: 3147-45-3
• Molecular Formula: C7H7NO3
• Molecular Weight: 153.137
• Hs Code.: 29182990
• European Community (EC) Number: 221-567-2
• NSC Number: 60728
• DSSTox Substance ID: DTXSID8062868
• Nikkaji Number: J76.344F
• Wikidata: Q72466464
• Mol file: 3147-45-3.mol

Synonyms:2,4-Dihydroxybenzamide;3147-45-3;Benzamide, 2,4-dihydroxy-;4-Hydroxysalicylamide;beta-Resorcylamide;2,4-bis(oxidanyl)benzamide;1,3,4-Resorcylic acid amide;EINECS 221-567-2;NSC 60728;2,4-dihydroxy-benzamide;NLZ;NSC60728;.beta.-Resorcylamide;1,4-Resorcylic acid amide;SCHEMBL1329143;2,4-dihydroxybenzoic acid amide;DTXSID8062868;IIUJCQYKTGNRHH-UHFFFAOYSA-;MFCD00064913;NSC-60728;AKOS006345205;AC-8708;SB75822;AS-15438;CS-0197141;D3460;FT-0634697;D86518;A820869;W-106898

Chemical Property of 2,4-Dihydroxybenzamide

Chemical Property:

• Vapor Pressure: 6.32E-09mmHg at 25°C
• Melting Point: 228 °C
• Refractive Index: 1.664
• Boiling Point: 455.8 °C at 760 mmHg
• PKA: 8.15±0.10(Predicted)
• Flash Point: 229.4 °C
• PSA: 83.55000
• Density: 1.458 g/cm³
• LogP: 0.89700
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 153.042593085
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

99.9% ^*data from raw suppliers

2,4-Dihydroxybenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)O)C(=O)N
• Uses: 2,4-Dihydroxybenzamide is a specific inhibitor of glutathione reductase.

Technology Process of 2,4-Dihydroxybenzamide

There total 18 articles about 2,4-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: 83.0%

2,4-Dihydroxybenzaldehyde (95-01-2) → 2,4-dihydroxybenzamide (3147-45-3)

Guidance literature:

With iron(III) chloride; hydroxylamine hydrochloride; caesium carbonate; In water; at 100 ℃; for 24h; chemoselective reaction;

DOI:10.1002/ejoc.201001738

Reference yield: 80.0%

2,4-diacetoxybenzamide (195723-39-8) → 2,4-dihydroxybenzamide (3147-45-3) + 2-acetoxy-4-hydroxybenzamide

Guidance literature:

With Candida rugosa lipase; butan-1-ol; In di-isopropyl ether; at 42 - 45 ℃; for 144h;

Reference yield: 79.0%

1,3-dihydroxy-4-dihydroxymethyl benzene (33617-59-3) → 2,4-dihydroxybenzamide (3147-45-3)

Guidance literature:

With iron(III) chloride; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; hydroxylamine hydrochloride; iodine; potassium carbonate; In 1,2-dichloro-ethane; at 90 ℃; for 12h;

DOI:10.1016/j.catcom.2012.04.027

upstream raw materials:

methyl 2,4-dihydroxybenzoate

potassium cyanate

urea

recorcinol

Downstream raw materials:

5-chloro-2,4-dihydroxy-benzoic acid amide

Refernces

• 1、 Das, Rima,Chakraborty, Debashis. "I2-TEMPO as an efficient oxidizing agent for the one-pot conversion of alcohol to amide using FeCl3 as the catalyst". experimental part. p. 48 - 53. Retrieved 2012/08/28.
• 2、 -. "PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS". . . Retrieved 2010/03/02.