3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid

Base Information

• Chemical Name: 3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
• CAS No.: 49671-84-3
• Molecular Formula: C10H9N2O4-
• Molecular Weight: 221.19
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10385219
• ChEMBL ID: CHEMBL1707573
• Mol file: 49671-84-3.mol

Synonyms:49671-84-3;3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid;3-(1H-Benzoimidazol-2-yl)-2,3-dihydroxy-propionic acid;3-(1H-1,3-benzodiazol-2-yl)-2,3-dihydroxypropanoic acid;3-(1 h-benzoimidazol-2-yl)-2,3-dihydroxy-propionic acid;3-(1H-benzo[d]imidazol-2-yl)-2,3-dihydroxypropanoic acid;Oprea1_668026;Oprea1_852335;MLS000716516;IFLab1_003918;CHEMBL1707573;SCHEMBL12858901;DTXSID10385219;HMS1423C02;HMS2642I04;BBL011766;CCG-15258;MFCD00458799;STK862370;AKOS000275501;AKOS016040981;SMR000278033;VS-03026;BB 0219684;EN300-74859;A923621;SR-01000499049;SR-01000499049-1;Z56779140;F0852-0155;3-(1H-benzo[d]imidazol-2-yl)-2,3-dihydroxypropanoicacid

Chemical Property of 3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid

Chemical Property:

• Vapor Pressure: 1.47E-16mmHg at 25°C
• Melting Point: 98 °C
• Boiling Point: 626.5°Cat760mmHg
• PKA: 2.99±0.11(Predicted)
• Flash Point: 332.7°C
• PSA: 106.44000
• Density: g/cm³
• LogP: 0.04180
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 222.06405680
• Heavy Atom Count: 16
• Complexity: 274

Purity/Quality:

98%min ^*data from raw suppliers

3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)C(C(C(=O)O)O)O

Technology Process of 3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid

There total 3 articles about 3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic 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: 85.0%

tartaric acid (87-69-4,138508-61-9) + 1,2-diamino-benzene (95-54-5) → 3-(1H-benzoimidazol-2-yl)-2,3-dihydroxy-propionic acid (49671-84-3)

Guidance literature:

With hydrogenchloride; at 80 ℃; for 4h;

Reference yield:

→ β-Benzimidazolyl-α,β-dihydroxy-propionsaeure (37523-95-8,49671-84-3)

Guidance literature:

L(+)-Weinsaeure, o-Phenylendiamin, 5n-HCl, 130-140grad (neben 1,2-Bis-benzimidazolyl-1,2-dihydroxy-aethan);

DOI:10.1007/BF00899831

Reference yield:

→ 3-(1H-benzoimidazol-2-yl)-2,3-dihydroxy-propionic acid (49671-84-3)

Guidance literature:

/BRN= 606074/, HOOCCH(OH)CH(OH)COOH;

upstream raw materials:

tartaric acid

1,2-diamino-benzene

Refernces