3-Furoyl chloride

Base Information

• Chemical Name: 3-Furoyl chloride
• CAS No.: 26214-65-3
• Molecular Formula: C5H3 Cl O2
• Molecular Weight: 130.531
• Hs Code.: 2932190090
• European Community (EC) Number: 638-962-4
• DSSTox Substance ID: DTXSID20379821
• Nikkaji Number: J501.456E
• Wikidata: Q72479853
• Mol file: 26214-65-3.mol

Synonyms:3-Furoyl chloride;26214-65-3;furan-3-carbonyl chloride;3-Furancarbonyl chloride;3-Furoylchloride;MFCD02681970;3-Furoyl chloride, 97%;SCHEMBL7912;DTXSID20379821;BTUIFMCWPFMNRG-UHFFFAOYSA-N;GEO-01455;AKOS005071195;BP-10384;FT-0615766;E78053;EN300-250602;7X-0706;J-512581;J-640067;J-800069;F2191-0264

Chemical Property of 3-Furoyl chloride

Chemical Property:

• Vapor Pressure: 3.46mmHg at 25°C
• Melting Point: 25-30°C
• Refractive Index: n20/D1.501
• Boiling Point: 62-64 ºC (15 mmHg)
• Flash Point: 46.1°C
• PSA: 30.21000
• Density: 1.323g/cm³
• LogP: 1.65860
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 129.9821570
• Heavy Atom Count: 8
• Complexity: 103

Purity/Quality:

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

3-Furoyl chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34-36/37/38-29-14
• Safety Statements: 26-36/37/39-45-30

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=COC=C1C(=O)Cl

Technology Process of 3-Furoyl chloride

There total 4 articles about 3-Furoyl 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: 95.0%

3-Furoic acid (488-93-7) → furan-3-carbonyl chloride (26214-65-3)

Guidance literature:

With thionyl chloride; In dichloromethane;

DOI:10.1016/j.tetlet.2006.08.032

Reference yield:

2,4-furan dicarboxylic acid (4282-28-4) → furan-3-carbonyl chloride (26214-65-3)

Guidance literature:

Multi-step reaction with 2 steps

1: copper-powder; quinoline

2: benzene; thionyl chloride

With quinoline; thionyl chloride; copper; benzene;

DOI:10.1021/ja01334a047

Reference yield:

3-Furoic acid (488-93-7) + oxalyl dichloride (79-37-8) → furan-3-carbonyl chloride (26214-65-3)

Guidance literature:

In dichloromethane;

upstream raw materials:

3-Furoic acid

2,4-furan dicarboxylic acid

oxalyl dichloride

Downstream raw materials:

ethyl 3-furancarboxylate

3-benzoylfuran

1-(3-furanyl)-1-propanone

Ethyl β-oxo-3-furanpropionate

Refernces

• 1、 Tan, Dong-Xing,Xu, Ze-Jun,Chen, Hui-Jun,Wu, Yikang,You, Jun. "Synthesis and Configurations of (-)-Furospongin-1 and (+)-Dihydrofurospongin-2". . p. 946 - 957. Retrieved 2016.
• 2、 Morota,Yang Chun-Xin,Ikeya,Qin Wan-Zhang,Nishimura,Xu Li-Hong,Ando,Miao Kang-Li,Maruno,Yang Bing-Hui. "Sesquiterpene alkaloids from Tripterigium wilfordii". . p. 1219 - 1222. Retrieved 1995.
• 3、 Takahashi, Kazuyuki,Kobayashi, Keiji. "Furan-fused TCNQ and DCNQI: Synthesis and properties". . p. 2577 - 2579. Retrieved 2000.
• 4、 Chen, Xuewen,Liu, Bo,Zou, Yingping,Xiao, Lu,Guo, Xiuping,He, Yuehui,Li, Yongfang. "A new benzo[1,2-b:4,5-b′]difuran-based copolymer for efficient polymer solar cells". . p. 17724 - 17731. Retrieved 2012.
• 5、 Flavell, Robert R.,Liu, Jianbo,Parker, Matthew F. L.,Toste, F. Dean,Wang, Sinan,Wilson, David M.. "Synthesis of N-trifluoromethyl amides from carboxylic acids". supporting information. p. 2245 - 2255. Retrieved 2021/08/12.
• 6、 Parsons, Dylan E.,Frontier, Alison J.. "Noncanonical cation-π cyclizations of alkylidene β-ketoesters: Synthesis of spiro-fused and bridged bicyclic ring systems". supporting information. p. 2008 - 2012. Retrieved 2019/03/26.