104163-34-0

Basic information

• Product Name: 5-methyl-2-Thiophenemethanamine
• Synonyms: 1-(5-methyl-2-thienyl)methanamine(SALTDATA: FREE);[(5-Methyl-2-thienyl)methyl]amine hydrochloride;(5-Methylthiophen-2-yl)MethanaMine;2-ThiopheneMethanaMine,5-Methyl-;1-(5-METHYL-2-THIENYL)METHANAMINE;(5-Methylthiophen-2-yl)
• CAS NO: 104163-34-0
• Molecular Formula: C₆H₉NS
• Molecular Weight: 127.21
• Product Categories: Thiophens
• Mol File: 104163-34-0.mol

Chemical Properties

• Boiling Point: 198.8°C at 760 mmHg
• Flash Point: 74°C
• Appearance: /
• Density: 1.104g/cm³
• Vapor Pressure: 0.353mmHg at 25°C
• Refractive Index: 1.572
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 8.98±0.29(Predicted)
• CAS DataBase Reference: 5-methyl-2-Thiophenemethanamine(CAS DataBase Reference)
• NIST Chemistry Reference: 5-methyl-2-Thiophenemethanamine(104163-34-0)
• EPA Substance Registry System: 5-methyl-2-Thiophenemethanamine(104163-34-0)

Safety Data

• Statements: 34
• Safety Statements: 26-27-36/37/39-45
• RIDADR: 3267
• HazardClass: IRRITANT
• Hazardous Substances Data: 104163-34-0(Hazardous Substances Data)

Usage

Chemical Properties

Colorless liquid

InChI:InChI=1/C6H9NS/c1-5-2-3-6(4-7)8-5/h2-3H,4,7H2,1H3

Upstream product

• 554-14-3 2-Methylthiophene 
• 42456-40-6 5-methyl-2-thiophenecarbaldehyde oxime 
• 13679-70-4 5-methylthiophene-2-carboxaldehyde 
• 765-58-2 2-bromo-5-methyl thiophene 
• 72835-25-7 2-cyano-5-methylthiophene 

Downstream Products

• 721958-87-8 2-[(5-methyl-thiophen-2-ylmethyl)-amino]-ethanol 
• 90765-35-8 5-Methyl-thenyl-(2)-3-hydroxy-propylamin 
• 171661-55-5 (5-methylthien-2-yl)methylamine hydrochloride 
• 1018480-82-4 C₁₈H₁₆F₃N₃O₂S₂ 
• 1035346-69-0 4-((diphenylmethyleneamino)methyl)-N-((5-methylthiophen-2-yl)methyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide 
• 1105691-16-4 2-(4-(benzyloxy)-2-oxopyridin-1(2H)-yl)-4-methyl-N-((5-methylthiophen-2-yl)methyl)thiazole-5-carboxamide 

Relevant articles and documents

Convenient one-pot methodology for the primary aminomethylation of electron rich heterocycles

Primary aminomethyl groups were introduced into the 2-position of electron rich heterocycles in moderate to good yields by a one-pot sequence involving lithiation, transmetalation into an organozinc reagent and treatment with 1-(triphenylphosphoroylideneaminomethyl)benzotriazole (betmip).

Systematic structure-activity relationship (SAR) exploration of diarylmethane backbone and discovery of a highly potent novel uric acid transporter 1 (URAT1) inhibitor

In order to systematically explore and better understand the structure-activity relationship (SAR) of a diarylmethane backbone in the design of potent uric acid transporter 1 (URAT1) inhibitors, 33 compounds (1a-1x and 1ha-1hi) were designed and synthesized, and their in vitro URAT1 inhibitory activities (IC50) were determined. The three-round systematic SAR exploration led to the discovery of a highly potent novel URAT1 inhibitor, 1h, which was 200-and 8-fold more potent than parent lesinurad and benzbromarone, respectively (IC50 = 0.035 μM against human URAT1 for 1h vs. 7.18 μM and 0.28 μM for lesinurad and benzbromarone, respectively). Compound 1h is the most potent URAT1 inhibitor discovered in our laboratories so far and also comparable to the most potent ones currently under development in clinical trials. The present study demonstrates that the diarylmethane backbone represents a very promising molecular scaffold for the design of potent URAT1 inhibitors.

Development of Glucose Regulated Protein 94-Selective Inhibitors Based on the BnIm and Radamide Scaffold

Glucose regulated protein 94 (Grp94) is the endoplasmic reticulum resident of the heat shock protein 90 kDa (Hsp90) family of molecular chaperones. Grp94 associates with many proteins involved in cell adhesion and signaling, including integrins, Toll-like receptors, immunoglobulins, and mutant myocilin. Grp94 has been implicated as a target for several therapeutic areas including glaucoma, cancer metastasis, and multiple myeloma. While 85% identical to other Hsp90 isoforms, the N-terminal ATP-binding site of Grp94 possesses a unique hydrophobic pocket that was used to design isoform-selective inhibitors. Incorporation of a cis-amide bioisostere into the radamide scaffold led to development of the original Grp94-selective inhibitor, BnIm. Structure-activity relationship studies have now been performed on the aryl side chain of BnIm, which resulted in improved analogues that exhibit better potency and selectivity for Grp94. These analogues also manifest superior antimigratory activity in a metastasis model as well as enhanced mutant myocilin degradation in a glaucoma model compared to BnIm.

Functionalization of photochromic dithienylmaleimides

Photochromic dithienylmaleimides are well known molecular switches, but for applications the suitable functionalization of the photochromic scaffold is required. We report here synthetic routes to dithienylmaleimides, which are functionalized at three different positions: at each of the thiophene moieties and the maleimide nitrogen. A Perkin-type condensation of two thiophene precursors is used as the key step to assemble the maleimide core, which allows the synthesis of non-symmetrically substituted dithienylmaleimides, such as photochromic amino acids. A different approach to the maleimide core is provided by the reaction of a dithienylmaleic anhydride with amines or hydrazides leading to maleimide protected dithienylmaleimides and photochromic labeled natural amino acids. The photochromic properties of the new photoswitches were investigated showing reversible photochromism in polar organic solvents. This journal is

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