Butyl (2S)-oxolane-2-carboxylate

Base Information

Chemical Name:Butyl (2S)-oxolane-2-carboxylate
CAS No.:178461-69-3
Molecular Formula:C₉H₁₆O₃
Molecular Weight:172.224
Hs Code.:
DSSTox Substance ID:DTXSID30460815
Nikkaji Number:J1.907.782I
Wikidata:Q82284968
Mol file:178461-69-3.mol

Synonyms:BUTYL (2S)-OXOLANE-2-CARBOXYLATE;178461-69-3;(S)-(-)-TETRAHYDRO-2-FUROIC ACID BUTYL ESTER;CTK4D6792;SCHEMBL17361189;DTXSID30460815

Suppliers and Price of Butyl (2S)-oxolane-2-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of Butyl (2S)-oxolane-2-carboxylate

Chemical Property:

PSA：35.53000
LogP:1.50870
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:172.109944368
Heavy Atom Count:12
Complexity:145

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCOC(=O)C1CCCO1
Isomeric SMILES:CCCCOC(=O)[C@@H]1CCCO1

Technology Process of Butyl (2S)-oxolane-2-carboxylate

There total 7 articles about Butyl (2S)-oxolane-2-carboxylate 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: 94.0%

: C₁₄H₁₄N₂O₂

: 71-36-3
butan-1-ol

: 178461-69-3
butyl (R)-tetrahydrofuran-2-carboxylate

Guidance literature:: C₁₄H₁₄N₂O₂; With methyl trifluoromethanesulfonate; In dichloromethane; at 25 ℃; for 1h; Molecular sieve;

butan-1-ol; With 1,8-diazabicyclo[5.4.0]undec-7-ene; at 25 ℃; for 0.5h;
DOI:10.1246/cl.160004

Reference yield: 86.3%

: 16874-33-2
tetrahydro-2-furancarboxylic acid

: 71-36-3
butan-1-ol

: 83867-83-8,178461-69-3
butyl (+/-)-tetrahydrofuran-2-carboxylate

Guidance literature:: With sulfuric acid; at 105 - 120 ℃; for 2h;
DOI:10.1016/S0957-4166(03)00249-0

Reference yield:

: 83867-83-8,178461-69-3
butyl (+/-)-tetrahydrofuran-2-carboxylate

: 87392-07-2
(S)-tetrahydro-2-furoic acid

: 87392-05-0
(R)-tetrahydro-2-furoic acid

: 178461-69-3
butyl (S)-tetrahydrofuran-2-carboxylate

: 178461-69-3
butyl (R)-tetrahydrofuran-2-carboxylate

Guidance literature:: With Aspergillus melleus protease; In phosphate buffer; at 20 ℃; for 2h; pH=7; Title compound not separated from byproducts;
DOI:10.1016/S0957-4166(03)00249-0