(3-Methylthiophen-2-yl)methanamine

Base Information

• Chemical Name: (3-Methylthiophen-2-yl)methanamine
• CAS No.: 104163-35-1
• Molecular Formula: C6H9NS
• Molecular Weight: 127.21
• Hs Code.: 2934999090
• European Community (EC) Number: 679-009-2
• DSSTox Substance ID: DTXSID10384025
• Nikkaji Number: J2.035.431C
• Wikidata: Q27449798
• Mol file: 104163-35-1.mol

Synonyms:(3-methylthiophen-2-yl)methanamine;104163-35-1;(3-Methyl-2-Thienyl)Methylamine;3-Methylthiophene-2-methylamine;2-Aminomethyl-3-methylthiophene;(3-Methylthien-2-yl)methylamine;2-Thiophenemethanamine,3-methyl-;1-(3-methyl-2-thienyl)methanamine;3-metylthiophene-2-metylamine;SCHEMBL243040;3-Methylthiophene-2-methanamine;DTXSID10384025;3-methyl-thiophen-2-ylmethylamine;SWZNXCABBUKIPZ-UHFFFAOYSA-N;2-(Aminomethyl)-3-methylthiophene;(3-methylthiophen-2-ylmethyl)amine;MFCD02093988;AKOS000141484;3-Methylthiophene-2-methylamine, 96%;PS-4645;AM802867;(3-methyl-2-thienyl)methylamine, AldrichCPR;A1903;CS-0215987;FT-0616192;1-(3-METHYLTHIOPHEN-2-YL)METHANAMINE;EN300-31732;AB00994289-01;Q27449798;F2169-1276

Chemical Property of (3-Methylthiophen-2-yl)methanamine

Chemical Property:

• Appearance/Colour: colorless or yellow liquid
• Vapor Pressure: 0.261mmHg at 25°C
• Refractive Index: 1.5565
• Boiling Point: 204.6 °C at 760 mmHg
• PKA: 9.00±0.29(Predicted)
• Flash Point: 77.5 °C
• PSA: 54.26000
• Density: 1.104 g/cm³
• LogP: 2.21550
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• 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:

99% ^*data from raw suppliers

(3-Methyl-2-thienyl)methylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xn
• Statements: 34-41-37/38-22
• Safety Statements: 26-36/37/39-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC=C1)CN

Technology Process of (3-Methylthiophen-2-yl)methanamine

There total 3 articles about (3-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:

N-hydroxy(3-methylthiophen-2-yl)methanimine (41056-90-0) → (3-methylthiophen-2-ylmethyl)amine (104163-35-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 6h; Reflux;

DOI:10.3390/molecules23020252

Reference yield:

3-methyl-2-thiophenecarboxaldehdye (5834-16-2,699531-50-5) → (3-methylthiophen-2-ylmethyl)amine (104163-35-1)

Guidance literature:

With nickel(II) tetrafluoroborate hexahydrate; ammonia; hydrogen; bis(2-diphenylphosphinoethyl)phenylphosphine; In 2,2,2-trifluoroethanol; at 100 ℃; for 24h; chemoselective reaction;

DOI:10.1039/d0sc01084g

Reference yield:

3-Methylthiophene (616-44-4,84928-92-7) → (3-methylthiophen-2-ylmethyl)amine (104163-35-1)

Guidance literature:

With formaldehyd; ammonium chloride; Behandeln des Reaktionsgemisches mit Methanol;

DOI:10.1021/ja01192a014

upstream raw materials:

3-Methylthiophene

N-hydroxy(3-methylthiophen-2-yl)methanimine

3-methyl-2-thiophenecarboxaldehdye

Downstream raw materials:

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.