3-Hydroxybenzimidamide

Base Information

• Chemical Name: 3-Hydroxybenzimidamide
• CAS No.: 24722-35-8
• Molecular Formula: C₇H₈N₂O
• Molecular Weight: 136.153
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID80388616
• Nikkaji Number: J383.999K
• Wikidata: Q82183694
• Mol file: 24722-35-8.mol

Synonyms:3-Hydroxybenzimidamide;24722-35-8;3-hydroxybenzenecarboximidamide;3-HYDROXYBENZAMIDINE;3-hydroxybenzene-1-carboximidamide;3-Hydroxy-benzamidine;SCHEMBL7359286;DTXSID80388616;ZAA72235;AKOS009112524;3-Hydroxybenzenecarboximidamide, AldrichCPR;EN300-1265471;F1905-6630

Chemical Property of 3-Hydroxybenzimidamide

Chemical Property:

• PSA: 70.10000
• LogP: 1.47630
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.063662883
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

3-Hydroxybenzenecarboximidamide 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Hydroxybenzimidamide

There total 3 articles about 3-Hydroxybenzimidamide 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:

methyl 3-hydroxybenzimidate hydrochloride → 3-hydroxy-benzamidine (24722-35-8)

Guidance literature:

With ammonia; In methanol; Yield given; Ambient temperature;

DOI:10.1248/cpb.32.4466

Reference yield:

m-cyanophenol (873-62-1) → 3-hydroxy-benzamidine (24722-35-8)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl / Ambient temperature

2: NH₃ / methanol / Ambient temperature

With hydrogenchloride; ammonia; In methanol;

DOI:10.1248/cpb.32.4466

Reference yield:

ethyl 3-hydroxybenzenecarboximidoate hydrochloride → 3-hydroxy-benzamidine (24722-35-8)

Guidance literature:

With ammonia;

DOI:10.1007/BF02864543

upstream raw materials:

m-cyanophenol

Downstream raw materials:

Benzoic acid 3-carbamimidoyl-phenyl ester

Refernces

• 1、 Yaegashi,Nunomura,Okutome,Nakayama,Kurumi,Sakurai,Aoyama,Fujii. "Synthesis and structure-activity study of protease inhibitors. III. Amidinophenols and their benzoyl esters". . p. 4466 - 4477. Retrieved 2007/10/02.