2-(Chloromethyl)-5-methylthiophene

Base Information

• Chemical Name: 2-(Chloromethyl)-5-methylthiophene
• CAS No.: 34776-73-3
• Molecular Formula: C6H7 Cl S
• Molecular Weight: 146.641
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90586202
• Wikidata: Q82478282
• Mol file: 34776-73-3.mol

Synonyms:2-(CHLOROMETHYL)-5-METHYLTHIOPHENE;34776-73-3;SCHEMBL1768938;DTXSID90586202;AKOS000321036;AB50993;DA-27775;F91663

Chemical Property of 2-(Chloromethyl)-5-methylthiophene

Chemical Property:

• Boiling Point: 83-84 °C(Press: 14 Torr)
• PSA: 28.24000
• Density: 1.193±0.06 g/cm3(Predicted)
• LogP: 2.79530
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 145.9956991
• Heavy Atom Count: 8
• Complexity: 74.9

Purity/Quality:

98%min ^*data from raw suppliers

2-(chloromethyl)-5-methylthiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(S1)CCl

Technology Process of 2-(Chloromethyl)-5-methylthiophene

There total 4 articles about 2-(Chloromethyl)-5-methylthiophene 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: 71.0%

5-methyl-2-thiophenemethanol (63826-59-5) → 2-(chloromethyl)-5-(methyl)thiophene (34776-73-3)

Guidance literature:

With thionyl chloride; triethylamine; In dichloromethane; at 0 ℃; Reflux;

Reference yield:

5-methylthiophene-2-carboxaldehyde (13679-70-4) → 2-(chloromethyl)-5-(methyl)thiophene (34776-73-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / NaBH₄ / H₂O / 0 °C

2: 50 percent / SOCl₂ / CH₂Cl₂ / 0 deg C to reflux

With sodium tetrahydroborate; thionyl chloride; In dichloromethane; water;

Reference yield:

2-Methylthiophene (554-14-3) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → 2-(chloromethyl)-5-(methyl)thiophene (34776-73-3)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/jo01157a011

upstream raw materials:

2-Methylthiophene

formaldehyd

5-methyl-2-thiophenemethanol

5-methylthiophene-2-carboxaldehyde

Refernces

• 1、 Randáková, Alena,Nelic, Dominik,Ungerová, Dana,Nwokoye, Peter,Su, Qiwen,Dole?al, Vladimír,El-Fakahany, Esam E.,Boulos, John,Jakubík, Jan. "Novel M2-selective, Gi-biased agonists of muscarinic acetylcholine receptors". supporting information. p. 2073 - 2089. Retrieved 2020/02/18.
• 2、 -. "SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS". Page/Page column 68; 73. . Retrieved 2020/12/30.