4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane

Base Information

• Chemical Name: 4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane
• CAS No.: 4362-40-7
• Deprecated CAS: 69427-60-7
• Molecular Formula: C6H11 Cl O2
• Molecular Weight: 150.605
• Hs Code.: 2932999099
• European Community (EC) Number: 224-452-5
• UNII: 0366925SM9
• DSSTox Substance ID: DTXSID60884065
• Nikkaji Number: J83.700H
• Wikidata: Q27247531
• Mol file: 4362-40-7.mol

Synonyms:4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane;4362-40-7;4-Chloromethyl-2,2-dimethyl-1,3-dioxolane;1,3-Dioxolane, 4-(chloromethyl)-2,2-dimethyl-;BRN 0104463;EINECS 224-452-5;AI3-17556;UNII-0366925SM9;MFCD00046097;4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane, (+/-)-;0366925SM9;(S)-(-)-4-chloromethyl-2,2-dimethyl-1,3-dioxolane;5-19-01-00085 (Beilstein Handbook Reference);(+/-)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane;MFCD00273365;MFCD00273371;SCHEMBL150257;DTXSID60884065;3-Chloro-1,2-propanediol acetonide;AKOS005203140;SB37184;SB44724;SB46740;AS-47211;LS-62518;SY014847;SY016487;SY038108;2,2-dimethyl-4-chloromethyl-1,3-dioxolane;CS-0134037;FT-0605056;FT-0605262;FT-0616723;1-CHLORO-2,3-O-ISOPROPYLIDENEPROPANE;4-chloromethyl-2,2-dimethyl-[1,3]dioxolane;EN300-122587;F12669;4-(chloromethyl)-2,2-dimethyl-[1,3]dioxolane;4-Chloromethyl-2,2-dimethyl-1,3-dioxolane, 97%;Q27247531;4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane 100 microg/mL in Acetonitrile

Chemical Property of 4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane

Chemical Property:

• Vapor Pressure: 3.8mmHg at 25°C
• Refractive Index: n20/D 1.434(lit.)
• Boiling Point: 156°Cat760mmHg
• Flash Point: 54.5°C
• PSA: 18.46000
• Density: 1.063g/cm³
• LogP: 1.37670
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 150.0447573
• Heavy Atom Count: 9
• Complexity: 103

Purity/Quality:

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

4-Chloromethyl-2,2-dimethyl-1,3-dioxolane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 10-25
• Safety Statements: 16-23-26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(OCC(O1)CCl)C
• Uses: 4-Chloromethyl-2,2-dimethyl-1,3-dioxolane is used in biosynthetic preparations. 4-Chloromethyl-2,2-dimethyl-1,3-dioxolane may be used in the preparation of 2,2-dimethyl-4-methylene-1,3-dioxolane via dehydrochlorination.

Technology Process of 4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane

There total 7 articles about 4-(Chloromethyl)-2,2-dimethyl-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: 96.0%

acetone (67-64-1) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 5-chloromethyl-2,2-dimethyl-1,3-dioxolane (4362-40-7)

Guidance literature:

tetrafluoroboric acid; In water; at 60 ℃; for 2h; Product distribution; variation of conditions;

DOI:10.1007/BF00633210

Reference yield: 92.0%

acetone (67-64-1) + 3-monochloro-1,2-propanediol (96-24-2) → 5-chloromethyl-2,2-dimethyl-1,3-dioxolane (4362-40-7)

Guidance literature:

F-4SK (H form); In benzene; at 80 ℃; for 3h; Heating;

Reference yield: 89.0%

3-monochloro-1,2-propanediol (96-24-2) → 5-chloromethyl-2,2-dimethyl-1,3-dioxolane (4362-40-7)

Guidance literature:

With toluene-4-sulfonic acid; In acetone;

upstream raw materials:

acetone

3-monochloro-1,2-propanediol

epichlorohydrin

(R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol

Downstream raw materials:

2,2-dimethyl-4-methylidene-1,3-dioxolane

bis((2,2-dimethyl-1,3-dioxolan-4-yl)methyl)amine

4-aminomethyl-2,2-dimethyl[1,3]dioxolane

rac-2,3-O-isopropylideneglycerol-1-diphenylphosphane

Refernces

• 1、 Hua, Xuewen,Mao, Wutao,Fan, Zhijin,Ji, Xiaotian,Li, Fengyun,Zong, Guangning,Song, Haibin,Tatiana, Kalinina,Morzherin, Yury Yu.,Belskaya, Nataliya P.,Bakulev, Vasiliy A.. "Design, Synthesis, and Biological Screening of Novel Anthranilic Diamides". . p. 865 - 875. Retrieved 2016/05/19.
• 2、 Taghavi, S. Abdolmanaf,Moghadam, Majid,Mohammadpoor-Baltork, Iraj,Tangestaninejad, Shahram,Mirkhani, Valiollah,Khosropour, Ahmad Reza,Ahmadi, Venus. "Investigation of the catalytic activity of an electron-deficient vanadium(IV) tetraphenylporphyrin: A new, highly efficient and reusable catalyst for ring-opening of epoxides". experimental part. p. 2244 - 2252. Retrieved 2011/10/03.