(4-Methyl-1,3-thiazol-2-yl)methylamine

Base Information

• Chemical Name: (4-Methyl-1,3-thiazol-2-yl)methylamine
• CAS No.: 51221-45-5
• Molecular Formula: C5H8N2S
• Molecular Weight: 128.198
• Hs Code.: 2934100090
• European Community (EC) Number: 801-633-2
• DSSTox Substance ID: DTXSID40405373
• Nikkaji Number: J767.258F
• Wikidata: Q82209885
• Mol file: 51221-45-5.mol

Synonyms:51221-45-5;(4-methyl-1,3-thiazol-2-yl)methylamine;(4-methyl-1,3-thiazol-2-yl)methanamine;(4-METHYLTHIAZOL-2-YL)METHANAMINE;C-(4-Methyl-Thiazol-2-Yl)-Methylamine;MFCD05222067;[(4-methyl-1,3-thiazol-2-yl)methyl]amine;2-(aminomethyl)-4-methylthiazole;SCHEMBL475799;DTXSID40405373;OJEGLCVIHVSMMR-UHFFFAOYSA-N;AKOS000210247;BS-12808;SY023478;1-(4-Methyl-1,3-thiazol-2-yl)methanamine;FT-0684200;EN300-25604;F13030;A871341;J-501430;(4-methyl-1,3-thiazol-2-yl)methylamine, AldrichCPR;F2163-0133

Chemical Property of (4-Methyl-1,3-thiazol-2-yl)methylamine

Chemical Property:

• Vapor Pressure: 0.221mmHg at 25°C
• Refractive Index: 1.578
• Boiling Point: 207.8°Cat760mmHg
• PKA: 7.44±0.40(Predicted)
• Flash Point: 79.5°C
• PSA: 67.15000
• Density: 1.182g/cm³
• LogP: 1.61050
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 128.04081944
• Heavy Atom Count: 8
• Complexity: 76.8

Purity/Quality:

98%min ^*data from raw suppliers

(4-methyl-1,3-thiazol-2-yl)methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CSC(=N1)CN

Technology Process of (4-Methyl-1,3-thiazol-2-yl)methylamine

There total 5 articles about (4-Methyl-1,3-thiazol-2-yl)methylamine 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:

2-(azidomethyl)-4-methylthiazole (1137879-81-2) → (4-methyl-1,3-thiazol-2-yl)methylamine (51221-45-5)

Guidance literature:

With hydrogen; palladium dihydroxide; In ethyl acetate; for 5h;

Reference yield:

4-methyl-thiazole-2-carbaldehyde (13750-68-0) → (4-methyl-1,3-thiazol-2-yl)methylamine (51221-45-5)

Guidance literature:

Multi-step reaction with 4 steps

1: sodium tetrahydroborate; methanol / 0.75 h / 0 °C

2: triethylamine / dichloromethane / 0.33 h / 0 °C

3: sodium azide / N,N-dimethyl-formamide / 2 h / Reflux

4: hydrogen / 10 wt% Pd(OH)2 on carbon / methanol

With methanol; sodium tetrahydroborate; sodium azide; hydrogen; triethylamine; 10 wt% Pd(OH)2 on carbon; In methanol; dichloromethane; N,N-dimethyl-formamide;

Reference yield:

(4-methylthiazol-2-yl)-methanol (13750-63-5) → (4-methyl-1,3-thiazol-2-yl)methylamine (51221-45-5)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine / dichloromethane / 0.33 h / 0 °C

2: sodium azide / N,N-dimethyl-formamide / 2 h / Reflux

3: hydrogen / 10 wt% Pd(OH)2 on carbon / methanol

With sodium azide; hydrogen; triethylamine; 10 wt% Pd(OH)2 on carbon; In methanol; dichloromethane; N,N-dimethyl-formamide;

upstream raw materials:

N-(4-methyl-thiazol-2-ylmethyl)-benzamide

2-(azidomethyl)-4-methylthiazole

4-methyl-thiazole-2-carbaldehyde

(4-methylthiazol-2-yl)-methanol

Downstream raw materials:

benzaldehyde imine of 2-aminomethyl-4-methylthiazole

exo-7-phenyl-4-<2'-(4'-methylthiazolyl)>-2-(2'-pyridyl)-6,8-dioxo-3,7-diazabicyclo<3.3.0>octane

endo-7-phenyl-4-<2'-(4'-methylthiazolyl)>-2-(2'-pyridyl)-6,8-dioxo-3,7-diazabicyclo<3.3.0>octane

(2-hydroxyphenyl)[5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-3-yl]methanone

Refernces

• 1、 -. "COMPOUNDS CONTAINING FUSED RINGS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF". Page/Page column 80. . Retrieved 2011/11/01.
• 2、 -. "(3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING". Page/Page column 65. . Retrieved 2009/05/29.