2-(3-Chloropropyl)-2-methyl-1,3-dioxolane

Base Information

• Chemical Name: 2-(3-Chloropropyl)-2-methyl-1,3-dioxolane
• CAS No.: 5978-08-5
• Molecular Formula: C7H13 Cl O2
• Molecular Weight: 164.632
• Hs Code.: 2932999099
• European Community (EC) Number: 227-776-5
• NSC Number: 135783
• UNII: MLK2GJP7MA
• DSSTox Substance ID: DTXSID70208516
• Nikkaji Number: J129.322B
• Wikidata: Q83082636
• Mol file: 5978-08-5.mol

Synonyms:2-(3-Chloropropyl)-2-methyl-1,3-dioxolane;5978-08-5;5-Chloro-2-pentanone ethylene ketal;2,2-(Ethylenedioxy)-5-chloropentane;5-CHLORO-2-PENTANONEETHYLENEKETAL;MLK2GJP7MA;1,3-Dioxolane, 2-(3-chloropropyl)-2-methyl-;NSC-135783;NSC135783;UNII-MLK2GJP7MA;SCHEMBL506092;OFERIRWCHSOJJT-UHFFFAOYSA-;DTXSID70208516;1-chloro-4-pentanone ethylene ketal;EINECS 227-776-5;1, 2-(3-chloropropyl)-2-methyl-;5-Chloro-2-pentanone ethylene acetal;2-methyl-2(3-chloropropyl)-dioxolane;AKOS006223265;Thiophene,2-chloro-3-(chloromethyl)-;BX-0024;NSC 135783;LS-62526;2-(3-chloropropyl)2-methyl-1,3-dioxolan;4,4-(ETHYLENEDIOXY)PENTYL CHLORIDE;2-(3-chloropropyl)-2-methyl-1,3-dioxolan;5-CHLOROPENTAN-2-ONE ETHYLENE ACETAL;E84120;2-(3-chloro-propyl)-2-methyl-[1,3]dioxolane;2-(3-Chloropropyl)-2-methyl-1,3-dioxolane #;2-(3-Chloropropyl)-2-methyl-1,3-dioxolane, 97%;6681-11-4

Chemical Property of 2-(3-Chloropropyl)-2-methyl-1,3-dioxolane

Chemical Property:

• Vapor Pressure: 0.387mmHg at 25°C
• Refractive Index: n20/D 1.449(lit.)
• Boiling Point: 73-76 °C7 mm Hg(lit.)
• Flash Point: 163 °F
• PSA: 18.46000
• Density: 1.094 g/mL at 25 °C(lit.)
• LogP: 1.76840
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.0604073
• Heavy Atom Count: 10
• Complexity: 99.8

Purity/Quality:

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

2-(3-Chloropropyl)-2-methyl-1,3-dioxolane 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(OCCO1)CCCCl
• Uses: 2-(3-Chloropropyl)-2-methyl-1,3-dioxolane was used in the preparation of 7-[(4,4-Ethylenedioxy)pentoxy]-2H-1-benzopyran-2-one.

Technology Process of 2-(3-Chloropropyl)-2-methyl-1,3-dioxolane

There total 5 articles about 2-(3-Chloropropyl)-2-methyl-1,3-dioxolane 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: 94.6%

5-chloro-2-pentanone (5891-21-4) + ethylene glycol (107-21-1) → 1-chloro-4-(1,3-dioxolane)-n-pentane (5978-08-5)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 4h; Solvent; Reflux;

Reference yield: 78.0%

3-(2-methyl-[1,3]dioxolan-2-yl)-propan-1-ol (29021-98-5) → 1-chloro-4-(1,3-dioxolane)-n-pentane (5978-08-5)

Guidance literature:

With N,N-diphenylchloromethyleneiminium chloride; triethylamine; In dichloromethane; for 3h; Ambient temperature;

DOI:10.1246/cl.1984.1173

Reference yield:

5-chloro-2-pentanone (5891-21-4) → 1-chloro-4-(1,3-dioxolane)-n-pentane (5978-08-5)

Guidance literature:

With toluene-4-sulfonic acid; In ethylene glycol; benzene;

upstream raw materials:

5-chloro-2-pentanone

ethylene glycol

3-(2-methyl-[1,3]dioxolan-2-yl)-propan-1-ol

Downstream raw materials:

5-oxohexanenitrile

1-phenylhexane-1,5-dione

1-(4-methylphenyl)-hexane-1,5-dione

5-ketohexanoic acid

Refernces

• 1、 Gutierrez, Maria C.,Sleegers, Arthur,Simpson, Helen D.,Alphand, Veronique,Furstoss, Roland. "The first fluorogenic assay for detecting a Baeyer-Villigerase activity in microbial cells". . p. 3500 - 3506. Retrieved 2003.
• 2、 -. "Deuterated hydroxychloroquine derivative and pharmaceutical composition containing deuterated hydroxychloroquine derivative". Paragraph 0131; 0135-0136; 0148. . Retrieved 2020/12/10.
• 3、 Gao, Jinbo,Liu, Jinggong,Qiu, Yongge,Chu, Xiusheng,Qiao, Yuqin,Li, Ding. "Multi-target-directed design, syntheses, and characterization of fluorescent bisphosphonate derivatives as multifunctional enzyme inhibitors in mevalonate pathway". . p. 3635 - 3642. Retrieved 2013/08/25.