2-Chloro-5-(chloromethyl)thiophene

Base Information

• Chemical Name: 2-Chloro-5-(chloromethyl)thiophene
• CAS No.: 23784-96-5
• Molecular Formula: C5H4 Cl2 S
• Molecular Weight: 167.059
• Hs Code.: 2934999090
• European Community (EC) Number: 623-208-9
• DSSTox Substance ID: DTXSID00342578
• Nikkaji Number: J151.108D
• Wikidata: Q72517782
• Mol file: 23784-96-5.mol

Synonyms:2-Chloro-5-(chloromethyl)thiophene;23784-96-5;2-Chloro-5-chloromethylthiophene;Thiophene, 2-chloro-5-(chloromethyl)-;5-chloro-2-thenyl chloride;5-chloro-2-(chloromethyl)thiophene;5-Chlor-2-thenyl-chlorid;BIDD:GT0453;SCHEMBL190205;2-chloro-5-chloromethylthiophen;5-chloromethyl-2-chlorothiphene;2-Chloro 5-chloromethylthiophene;2-chloromethyl-5-chlorothiophene;5-chloro-2-chloromethylthiophene;DTXSID00342578;2-chloro-5-chloromethyl thiophene;2-chloro-5-chloromethyl-thiophene;2-chloro-5-(chloromethyl)thiophen;2-chloro-5-(chloromethyl)-thiophene;MFCD00009764;5-chloro-thiophen-2-ylmethyl chloride;AKOS000117383;AB00990;AC-9504;CS-W017849;DS-5419;AM808041;2-Chloro-5-(chloromethyl)thiophene, 97%;FT-0638355;EN300-11177;A816901;J-015208;Z57039589;F8880-3932

Chemical Property of 2-Chloro-5-(chloromethyl)thiophene

Chemical Property:

• Appearance/Colour: Clear colorless to yellow liquid
• Vapor Pressure: 0.211mmHg at 25°C
• Refractive Index: n20/D 1.575(lit.)
• Boiling Point: 83-85 ºC (8 mmHg)
• Flash Point: 101 ºC
• PSA: 28.24000
• Density: 1.385
• LogP: 3.14030
• Storage Temp.: ?20°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 165.9410767
• Heavy Atom Count: 8
• Complexity: 76.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC(=C1)Cl)CCl
• Uses: 2-Chloro-5-(chloromethyl)thiophene was used in the synthesis of 1-(1,1′-biphenyl-4-yl)-3-(5-chloro-thiophen-2-yl)-2-(1H-imidazol-1-yl)propane and 1-(5-chlorothiophen-2-yl)-2-(1H-imidazol-1-yl)-3-phenylpropane.

Technology Process of 2-Chloro-5-(chloromethyl)thiophene

There total 9 articles about 2-Chloro-5-(chloromethyl)thiophene 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: 85.5%

5-chloro-2-thiophenemethanol (74168-69-7) → 2-Chloro-5-(chloromethyl)thiophene (23784-96-5)

Guidance literature:

With thionyl chloride; In tetrahydrofuran; at 0 - 50 ℃; for 3h; Inert atmosphere;

Reference yield: 83.0%

→ 2-Chloro-5-(chloromethyl)thiophene (23784-96-5) + 4-(5-Chloro-thien-2-ylmethyl)-3,4-dihydro-2-(2-hydroxyethyl)-3-oxo-2H-1,4-benzoxazine (191097-04-8)

Guidance literature:

Reference yield: 72.8%

→ 2-Chloro-5-(chloromethyl)thiophene (23784-96-5)

Guidance literature:

With tetrachloromethane; triphenylphosphine; for 1h; Reflux;

upstream raw materials:

2-thienyl chloride

formaldehyd

2-thiophenemethanol

(5-bromothien-2-yl)methanol

Downstream raw materials:

1-[2-(5-chloro-2-thienylmethoxy)-4-(4-chlorophenyl)butyl]imidazole

(5-chlorothiophen-2-yl)acetonitrile

3-(5-chloro-thiophen-2-ylmethoxy)-phthalic acid

5-Chloro-2-thiophenecarboxaldehyde

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". . p. 2073 - 2089. Retrieved 2020.
• 2、 -. "MUSCARINIC AGONISTS AS NON-STEROIDAL AND NON-OPIOID ANALGESICS AND METHODS OF USE THEREOF". Paragraph 0060; 0073; 0076; 00106. . Retrieved 2020/09/19.