1H-Benzimidazole-2-carboxaldehyde

Base Information

• Chemical Name: 1H-Benzimidazole-2-carboxaldehyde
• CAS No.: 3314-30-5
• Molecular Formula: C8H6N2O
• Molecular Weight: 146.148
• Hs Code.: 2933990090
• European Community (EC) Number: 222-004-3
• NSC Number: 405912,26309
• UNII: W72HN35PDJ
• DSSTox Substance ID: DTXSID40186791
• Nikkaji Number: J110.017C
• Wikidata: Q27116911
• Metabolomics Workbench ID: 55446
• Mol file: 3314-30-5.mol

Synonyms:3314-30-5;1H-Benzimidazole-2-carboxaldehyde;1h-benzo[d]imidazole-2-carbaldehyde;1H-Benzimidazole-2-carbaldehyde;1H-Benzoimidazole-2-carboxaldehyde;Benzimidazole-2-carbaldehyde;2-Formylbenzimidazole;1H-Benzoimidazole-2-carbaldehyde;2-Benzimidazolecarboxaldehyde;1h-1,3-benzodiazole-2-carbaldehyde;MFCD00228045;W72HN35PDJ;EINECS 222-004-3;NSC-26309;NSC-405912;1H-Benzo(d)imidazole-2-carbaldehyde;azaindole aldehyde;NSC26309;UNII-W72HN35PDJ;SCHEMBL376644;SCHEMBL3279092;SCHEMBL9541649;CHEBI:36636;DTXSID40186791;1H-Benzimidazole-2-carbaldehyde #;2-BENZIMIDAZOLYLFORMALDEHYDE;BCP26408;BBL028429;NSC 26309;NSC405912;STK402277;1H-1,3-benzimidazole-2-carbaldehyde;AKOS001732208;AB04996;BS-3819;CS-W004873;NSC 405912;AM807094;BP-11203;SY025423;A5916;BB 0237076;FT-0601180;EN300-66936;J-504653;Q27116911;Z57114985;F0852-0139;1H-Benzo[d]imidazole-2-carbaldehyde

Chemical Property of 1H-Benzimidazole-2-carboxaldehyde

Chemical Property:

• Vapor Pressure: 2.02E-05mmHg at 25°C
• Melting Point: 224 °C
• Refractive Index: 1.747
• Boiling Point: 361.771 °C at 760 mmHg
• PKA: 10.61±0.10(Predicted)
• Flash Point: 176.353 °C
• PSA: 45.75000
• Density: 1.369 g/cm³
• LogP: 1.37540
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 146.048012819
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

99%, ^*data from raw suppliers

1H-Benzo[d]imidazole-2-carbaldehyde ^*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=O

Technology Process of 1H-Benzimidazole-2-carboxaldehyde

There total 9 articles about 1H-Benzimidazole-2-carboxaldehyde 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: 86.0%

2-(Hydroxymethyl)benzimidazole (4856-97-7) → 1H-benzoimidazole-2-carboxaldehyde (3314-30-5)

Guidance literature:

With KMnO₄/alumina; at 20 ℃; for 0.133333h;

Reference yield: 85.3%

2-(dichloromethyl)-1H-benzimidazole (5466-57-9) → 1H-benzoimidazole-2-carboxaldehyde (3314-30-5)

Guidance literature:

With sulfuric acid; In water; at 80 ℃; for 1h;

Reference yield: 81.0%

1,2-diamino-benzene (95-54-5) + Glyoxilic acid (298-12-4) → 1H-benzoimidazole-2-carboxaldehyde (3314-30-5)

Guidance literature:

With hydroxyapatite; In water; at 52 ℃; for 6h; Temperature;

upstream raw materials:

2-Methyl-1H-benzimidazole

2-(Hydroxymethyl)benzimidazole

2-(dichloromethyl)-1H-benzimidazole

oxalic acid

Downstream raw materials:

α-anilino-3-benzimidazolemethanol

diethyl phosphonate

2-Benzimidazolcarboxaldehyd-2,4-dinitrophenylhydrazon

(1H-benzimidazol-2-yl)phenylmethanol

Refernces

• 1、 Liu, Shenggui,Pan, Rongkai,Su, Wenyi,Li, Guobi,Ni, Chunlin. "Synthesis of a ruthenium complex based on 2,6-bis[1-(pyridin-2-yl)-1H-benzo[d]imidazol-2-yl]pyridine and catalytic oxidation of (1H-benzo[d]-imidazol-2-yl)methanol to 1H-benzo[d]imidazole-2-carbaldehyde with H2O2". . p. 88 - 92. Retrieved 2017.
• 2、 Wang, Shuxiang,Guan, Lihong,Zang, Jie,Xing, Kun,Zhang, Jian,Liu, Dan,Zhao, Linxiang. "Structure-based design of novel benzimidazole derivatives as PIN1 inhibitors". . . Retrieved 2019/04/08.