3-(1H-Tetrazol-5-yl)benzyl alcohol, 97%

Base Information

• Chemical Name: 3-(1H-Tetrazol-5-yl)benzyl alcohol, 97%
• CAS No.: 179057-20-6
• Molecular Formula: C8H8 N4 O
• Molecular Weight: 176.178
• Hs Code.: 2933990090
• Mol file: 179057-20-6.mol

Synonyms:Benzenemethanol,3-(1H-tetrazol-5-yl)- (9CI)

Chemical Property of 3-(1H-Tetrazol-5-yl)benzyl alcohol, 97%

Chemical Property:

• Vapor Pressure: 1.44E-08mmHg at 25°C
• Melting Point: 208-210°C
• Refractive Index: 1.647
• Boiling Point: 441.4°Cat760mmHg
• Flash Point: 220.7°C
• PSA: 74.69000
• Density: 1.392g/cm³
• LogP: 0.35900

Purity/Quality:

99% ^*data from raw suppliers

3-(1H-Tetrazol-5-yl)benzylAlcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(1H-Tetrazol-5-yl)benzyl alcohol, 97%

There total 4 articles about 3-(1H-Tetrazol-5-yl)benzyl alcohol, 97% 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: 80.0%

methyl 3-(1H-tetrazol-5-yl)benzoate (148345-63-5) → [3-(1H-tetrazol-5-yl)phenyl]methanol (179057-20-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 50 ℃; for 4h;

DOI:10.1021/jm9800853

Reference yield:

3-Cyanobenzoic acid (1877-72-1) → [3-(1H-tetrazol-5-yl)phenyl]methanol (179057-20-6)

Guidance literature:

Multi-step reaction with 4 steps

1: POCl₃, DMF / ethyl acetate / 0.5 h / 5 °C

2: ethyl acetate / 18 h / Ambient temperature

3: 99 percent / NaN₃, NH₄Cl / dimethylformamide / 2.5 h / 120 °C

4: 80 percent / LiAlH₄ / tetrahydrofuran / 4 h / 50 °C

With lithium aluminium tetrahydride; sodium azide; ammonium chloride; N,N-dimethyl-formamide; trichlorophosphate; In tetrahydrofuran; ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1021/jm9800853

Reference yield:

methyl 3-cyanobenzoate (13531-48-1) → [3-(1H-tetrazol-5-yl)phenyl]methanol (179057-20-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / NaN₃, NH₄Cl / dimethylformamide / 2.5 h / 120 °C

2: 80 percent / LiAlH₄ / tetrahydrofuran / 4 h / 50 °C

With lithium aluminium tetrahydride; sodium azide; ammonium chloride; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1021/jm9800853

upstream raw materials:

methyl 3-(1H-tetrazol-5-yl)benzoate

3-Cyanobenzoic acid

methyl 3-cyanobenzoate

3-cyanobenzoyl chloride

Downstream raw materials:

3-(1H-tetrazol-5-yl)benzyl methanesulfonate

3-(2-Trityl-2H-tetrazol-5-yl)-benzaldehyde

Cycloheptyl-[3-(1-methyl-1H-tetrazol-5-yl)-benzyl]-amine

Cycloheptyl-[3-(2-methyl-2H-tetrazol-5-yl)-benzyl]-amine

Refernces

• 1、 Tanaka, Akira,Terasawa, Takeshi,Hagihara, Hiroyuki,Sakuma, Yuri,Ishibe, Noriko,Sawada, Masae,Takasugi, Hisashi,Tanaka, Hirokazu. "Inhibitors of acyl-coA:cholesterol O-acyltransferase. 2. Identification and structure-activity relationships of a novel series of N-alkyl-N- (heteroaryl-substituted benzyl)-N'-arylureas". . p. 2390 - 2410. Retrieved 2007/10/03.