1H-benzimidazol-5-ylmethanol

Base Information

• Chemical Name: 1H-benzimidazol-5-ylmethanol
• CAS No.: 106429-29-2
• Molecular Formula: C8H8N2O
• Molecular Weight: 148.164
• Hs Code.: 2933990090
• European Community (EC) Number: 640-744-9
• DSSTox Substance ID: DTXSID00542495
• Wikidata: Q72445303
• Mol file: 106429-29-2.mol

Synonyms:1H-benzimidazol-5-ylmethanol;106429-29-2;5-(Hydroxymethyl)-1H-benzimidazole;3H-benzimidazol-5-ylmethanol;(1H-benzo[d]imidazol-5-yl)methanol;(1H-1,3-benzodiazol-5-yl)methanol;MFCD08690267;1H-Benzimidazole-5-methanol;5-(HYDROXYMETHYL)BENZIMIDAZOLE;benzimidazole-5-methanol;5-hydroxymethylbenzimidazole;5-hydroxymethyl benzimidazole;1H-benzimidazol-6-yl methanol;SCHEMBL1254936;5-(Hydroxymethyl)-benzimidazole;(1H-Benzimidazol-6-yl)methanol;(1H-benzoimidazol-5-yl)methanol;DTXSID00542495;CHEBI:194814;ITPDIGZAMXKBCF-UHFFFAOYSA-N;1H-1,3-benzodiazol-6-ylmethanol;AMY10058;(1H-benzo[d]imidazol-6-yl)methanol;(1H-1,3-benzodiazol-6-yl)methanol;(1H-benzo[d]imidazole-5-yl)methanol;AKOS006335957;PS-4117;1H-benzimidazol-5-ylmethanol, AldrichCPR;SY011037;CS-0130309;EN300-6767741

Chemical Property of 1H-benzimidazol-5-ylmethanol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 128.5-131
• Refractive Index: 1.721
• Boiling Point: 469.534 °C at 760 mmHg
• PKA: 12.48±0.10(Predicted)
• Flash Point: 237.766 °C
• PSA: 48.91000
• Density: 1.36 g/cm³
• LogP: 1.05520
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 148.063662883
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

99% ^*data from raw suppliers

5-(Hydroxymethyl)-1H-benzimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38-41-37/38
• Safety Statements: 22-26-36/37/39-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1CO)NC=N2

Technology Process of 1H-benzimidazol-5-ylmethanol

There total 12 articles about 1H-benzimidazol-5-ylmethanol 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: 99.0%

→ 5-(hydroxymethyl)-benzimidazole (106429-29-2)

Guidance literature:

Reference yield: 96.0%

(1(3)H-benzimidazol-5-yl)-acetic acid ethyl ester → 5-(hydroxymethyl)-benzimidazole (106429-29-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 24h; Inert atmosphere;

Reference yield: 93.0%

1H-benzimidazole-6-carboxylic acid (15788-16-6) → (1H-benzo[d]imidazol-6-yl)methanol (106429-29-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 - 70 ℃; for 7h; Cooling with ice;

upstream raw materials:

5-benzimidazolecarboxylic acid

benzimidazole-5-carboxylic acid ethyl ester

Rochelle's salt

5-chloromethyl-1⁽³⁾H-benzoimidazole

Downstream raw materials:

methyl 1H-benzo[d]imidazole-5-carboxylate

1-methyl-1H-benzo[d]imidazole-6-carbaldehyde

1-methyl-1H-benzo[d]imidazole-5-carbaldehyde

6-azidomethyl-1H-benzo [d]imidazole