Tetrahydrofuran-2-carbonyl chloride

Base Information

• Chemical Name: Tetrahydrofuran-2-carbonyl chloride
• CAS No.: 52449-98-6
• Molecular Formula: C5H7ClO2
• Molecular Weight: 134.562
• Hs Code.: 2932190090
• European Community (EC) Number: 922-279-6
• DSSTox Substance ID: DTXSID601293268
• Nikkaji Number: J2.109.928G
• Mol file: 52449-98-6.mol

Synonyms:oxolane-2-carbonyl chloride;52449-98-6;tetrahydrofuran-2-carbonyl chloride;Furan-2-carbonyl chloride, tetrahydro-;Tetrahydro-2-furancarbonyl chloride;2-Tetrahydrofuroyl chloride;MFCD09897727;tetrahydrofuran-2-carboxylic acid chloride;EC 922-279-6;Tetrahydrofuroyl chloride;oxolane-2-carbonylchloride;tetrahydro-2-furoyl chloride;SCHEMBL540651;(RS)-tetrahydrofuroyl chloride;AMY8077;tetrahydrofuran-2-carbonylchloride;DTXSID601293268;CCA44998;tetrahydrofurane-2-carbonyl chloride;Tetrahydrofuranyl-2-carbonyl Chloride;Tetrahydro-2-furancarbonyl chloride #;AKOS009217952;AC-33304;BS-12857;SY084361;EN300-55255;P19141;A870983

Chemical Property of Tetrahydrofuran-2-carbonyl chloride

Chemical Property:

• Boiling Point: 80-81 °C(Press: 30 Torr)
• PSA: 26.30000
• Density: 1.270±0.06 g/cm3(Predicted)
• LogP: 0.93080
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 134.0134572
• Heavy Atom Count: 8
• Complexity: 103

Purity/Quality:

99.9% ^*data from raw suppliers

Tetrahydrofuranyl-2-carbonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(OC1)C(=O)Cl
• Uses: Tetrahydrofuranyl-2-carbonyl Chloride, is a building block used in various chemical synthesis.

Technology Process of Tetrahydrofuran-2-carbonyl chloride

There total 5 articles about Tetrahydrofuran-2-carbonyl chloride 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: 99.0%

tetrahydro-2-furancarboxylic acid (16874-33-2) → tetrahydrofuran-2-carbonyl chloride (52449-98-6)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 0.5h;

Reference yield:

(R)-tetrahydro-2-furoic acid (87392-05-0) → tetrahydrofuran-2-carbonyl chloride (52449-98-6)

Guidance literature:

With thionyl chloride; In toluene; at 90 ℃; for 2h;

Reference yield:

tetrahydro-2-furancarboxylic acid (16874-33-2) + oxalyl dichloride (79-37-8) → tetrahydrofuran-2-carbonyl chloride (52449-98-6)

Guidance literature:

upstream raw materials:

tetrahydro-2-furancarboxylic acid

2-furanoic acid

Tetrahydrofurfuryl alcohol

oxalyl dichloride

Downstream raw materials:

(RS)-2-Chloroacetyltetrahydrofuran

methyl tetrahydrofuran-2-carboxylate

tetrahydro-furan-2-carboxylic acid (2-fluoro-4-iodophenyl)amide

C₁₆H₁₆ClN₃O₃

Refernces

• 1、 -. "Lappaconitine derivative with analgesic activity, and preparation method and application thereof". Paragraph 0363-0368. . Retrieved 2021/07/14.
• 2、 Kirichok, Alexander A.,Shton, Irina O.,Pishel, Irina M.,Zozulya, Sergey A.,Borysko, Petro O.,Kubyshkin, Vladimir,Zaporozhets, Olha A.,Tolmachev, Andrei A.,Mykhailiuk, Pavel K.. "Synthesis of Multifunctional Spirocyclic Azetidines and Their Application in Drug Discovery". supporting information. p. 5444 - 5449. Retrieved 2018/04/23.