(5-Methylthiophen-2-yl)methanamine

Base Information

• Chemical Name: (5-Methylthiophen-2-yl)methanamine
• CAS No.: 104163-34-0
• Molecular Formula: C6H9 N S
• Molecular Weight: 127.21
• Hs Code.: 29349990
• European Community (EC) Number: 817-460-0
• DSSTox Substance ID: DTXSID50401841
• Nikkaji Number: J675.608E
• Wikidata: Q82205101
• Mol file: 104163-34-0.mol

Synonyms:(5-methylthiophen-2-yl)methanamine;104163-34-0;5-METHYLTHIOPHEN-2-YLMETHYLAMINE;2-(Aminomethyl)-5-methylthiophene;2-Thiophenemethanamine, 5-methyl-;1-(5-methyl-2-thienyl)methanamine;5-METHYL-2-THIOPHENEMETHANAMINE;C-(5-METHYL-THIOPHEN-2-YL)-METHYLAMINE;MFCD00965306;(5-METHYLTHIEN-2-YL)METHYLAMINE;2-Thiophenemethanamine,5-methyl-;SCHEMBL128771;5-methyl-2-thiopheneylmethanamine;DTXSID50401841;XCBYYXLOEBELSB-UHFFFAOYSA-N;2-Methyl-5-(aminomethyl)thiophene;AKOS000169440;AB07827;AM802866;BS-12837;SY031087;5-methylthiophen-2-ylmethylamine, AldrichCPR;BB 0261866;CS-0035951;FT-0683190;EN300-42750;A896274;J-001122;J-517771

Chemical Property of (5-Methylthiophen-2-yl)methanamine

Chemical Property:

• Vapor Pressure: 0.353mmHg at 25°C
• Boiling Point: 198.8°C at 760 mmHg
• PKA: 8.98±0.29(Predicted)
• Flash Point: 74°C
• PSA: 54.26000
• Density: 1.104g/cm³
• LogP: 3.01750
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 127.04557046
• Heavy Atom Count: 8
• Complexity: 74.9

Purity/Quality:

98%min ^*data from raw suppliers

(5-Methylthiophen-2-yl)methanamine ^*data from reagent suppliers

Safty Information:

• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(S1)CN

Technology Process of (5-Methylthiophen-2-yl)methanamine

There total 7 articles about (5-Methylthiophen-2-yl)methanamine 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: 92.0%

(E)-5-methylthiophen-2-carbaldehyde oxime → (5-methylthiophen-2-ylmethyl)amine (104163-34-0)

Guidance literature:

(E)-5-methylthiophen-2-carbaldehyde oxime; With lithium aluminium tetrahydride; In tetrahydrofuran; for 1.5h; Heating / reflux;

With sodium hydroxide; water; In tetrahydrofuran;

Reference yield: 16.0%

5-methyl-2-thiophenecarbaldehyde oxime (42456-40-6) → (5-methylthiophen-2-ylmethyl)amine (104163-34-0)

Guidance literature:

With lithium aluminium tetrahydride; water; In tetrahydrofuran; at 0 - 25 ℃; for 12h;

DOI:10.1021/acs.jmedchem.6b00085

Reference yield:

5-methylthiophene-2-carboxaldehyde (13679-70-4) → (5-methylthiophen-2-ylmethyl)amine (104163-34-0)

Guidance literature:

With pyridine; hydrogenchloride; sodium borohydrid; trifluoroacetic acid; In tetrahydrofuran; methanol; diethyl ether;

upstream raw materials:

2-Methylthiophene

5-methyl-2-thiophenecarbaldehyde oxime

5-methylthiophene-2-carboxaldehyde

2-bromo-5-methyl thiophene

Downstream raw materials:

(5-methylthien-2-yl)methylamine hydrochloride

2-(4-(benzyloxy)-2-oxopyridin-1(2H)-yl)-4-methyl-N-((5-methylthiophen-2-yl)methyl)thiazole-5-carboxamide

4-((diphenylmethyleneamino)methyl)-N-((5-methylthiophen-2-yl)methyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

C₁₈H₁₆F₃N₃O₂S₂

Refernces

• 1、 Cai, Wenqing,Wu, Jingwei,Liu, Wei,Xie, Yafei,Liu, Yuqiang,Zhang, Shuo,Xu, Weiren,Tang, Lida,Wang, Jianwu,Zhao, Guilong. "Systematic structure-activity relationship (SAR) exploration of diarylmethane backbone and discovery of a highly potent novel uric acid transporter 1 (URAT1) inhibitor". . . Retrieved 2018/02/07.
• 2、 Wutz,Falenczyk,Kuzmanovic,K?nig. "Functionalization of photochromic dithienylmaleimides". . p. 18075 - 18086. Retrieved 2015/03/04.