1-Benzyl-5-hydroxymethyl-1h-imidazole

Base Information

• Chemical Name: 1-Benzyl-5-hydroxymethyl-1h-imidazole
• CAS No.: 80304-50-3
• Molecular Formula: C11H12 N2 O
• Molecular Weight: 188.229
• Hs Code.: 2933290090
• European Community (EC) Number: 801-906-6
• DSSTox Substance ID: DTXSID60378297
• Nikkaji Number: J783.222B
• Wikidata: Q72441310
• ChEMBL ID: CHEMBL3787067
• Mol file: 80304-50-3.mol

Synonyms:1-Benzyl-5-hydroxymethyl-1h-imidazole;80304-50-3;(3-benzylimidazol-4-yl)methanol;(1-benzyl-1H-imidazol-5-yl)methanol;1H-Imidazole-5-methanol,1-(phenylmethyl)-;Maybridge3_002496;SCHEMBL3079356;CHEMBL3787067;1-benzyl-5-hydroxymethylimidazole;DTXSID60378297;GQZILHANXWXTIW-UHFFFAOYSA-N;HMS1438B10;1-Benzyl-5-hydroxymethyl-imidazole;3-Benzyl-3H-imidazole-4-methanol;CCG-52512;MFCD02179524;AKOS005203314;AB11313;IDI1_013883;BS-24371;CS-0206607;FT-0660047;EN300-157595;1-(PHENYLMETHYL)-1H-IMIDAZOLE-5-METHANOL;A839889;1-Benzyl-5-hydroxymethyl-1H-imidazole, AldrichCPR;Q-103117;SR-01000641744-1;Z1201621644

Chemical Property of 1-Benzyl-5-hydroxymethyl-1h-imidazole

Chemical Property:

• Vapor Pressure: 3.44E-07mmHg at 25°C
• Melting Point: 133-134oC
• Boiling Point: 402.2°Cat760mmHg
• Flash Point: 197°C
• PSA: 38.05000
• Density: 1.13g/cm³
• LogP: 1.42370
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 188.094963011
• Heavy Atom Count: 14
• Complexity: 169

Purity/Quality:

98%min ^*data from raw suppliers

1-Benzyl-5-hydroxymethyl-1H-imidazole AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=NC=C2CO

Technology Process of 1-Benzyl-5-hydroxymethyl-1h-imidazole

There total 31 articles about 1-Benzyl-5-hydroxymethyl-1h-imidazole 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%

1-benzyl-1H-imidazole-5-carboxaldehyde (85102-99-4) → 1-benzyl-5-hydroxymethylimidazole (80304-50-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 0.25h;

DOI:10.1002/recl.19941130603

Reference yield: 90.0%

1-benzyl-2-mercapto-5-hydroxymethyl-imidazole (98412-23-8) → 1-benzyl-5-hydroxymethylimidazole (80304-50-3)

Guidance literature:

With dihydrogen peroxide; acetic acid; In water; at 35 - 45 ℃; Further Variations:; Reagents; Temperatures; Product distribution; caution exothermic;

DOI:10.1002/jhet.5570400206

Reference yield: 89.0%

methyl 1-benzyl-1H-imidazole-5-carboxylate (73941-33-0) → 1-benzyl-5-hydroxymethylimidazole (80304-50-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1002/jlcr.507

upstream raw materials:

methyl 1-benzyl-1H-imidazole-5-carboxylate

(1H-imidazol-4-yl)methanol

benzyl bromide

1-benzyl-1H-imidazole-5-carboxaldehyde

Downstream raw materials:

(2S,5R)-2-<(1-Benzylimidazol-5-yl)methyl>-2,5-dihydro-3,6-dimethoxy-5-isopropylpyrazine

N-((1-benzyl-1H-imidazol-5-yl)methyl)-N-ethylethanamine

ethyl 1-benzyl-1H-imidazole-5-carboxylic acid

methyl 1-benzyl-1H-imidazole-5-carboxylate

Refernces

• 1、 Talab, Sarra,Taha, Kamal Khalifa,Lugtenburg, Johan. "Preparation of 2'-13c-l-histidine starting from 13c-thiocyanate: Synthetic access to any site-directed stable isotope enriched l-histidine". . p. 1023 - 1033. Retrieved 2014/02/14.
• 2、 -. "AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE". Paragraph 0592. . Retrieved 2014/06/25.