Benzoic acid (3aS,4R,6aR)-2,2-dimethyl-tetrahydro-thieno[3,4-d][1,3]dioxol-4-ylmethyl ester

Base Information

Chemical Name:Benzoic acid (3aS,4R,6aR)-2,2-dimethyl-tetrahydro-thieno[3,4-d][1,3]dioxol-4-ylmethyl ester
CAS No.:596103-07-0
Molecular Formula:C₁₅H₁₈O₄S
Molecular Weight:294.372
Hs Code.:
DSSTox Substance ID:DTXSID501145317
Nikkaji Number:J2.558.310H

Synonyms:Benzoic acid (3aS,4R,6aR)-2,2-dimethyl-tetrahydro-thieno[3,4-d][1,3]dioxol-4-ylmethyl ester;GVDGGDZDDZVKBN-XQQFMLRXSA-N;DTXSID501145317;D-Ribitol, 1,4-dideoxy-1,4-epithio-2,3-O-(1-methylethylidene)-, 5-benzoate;596103-07-0;Benzoic acid [(3abeta,6abeta)-tetrahydro-2,2-dimethylthieno[3,4-d]-1,3-dioxole-4beta-yl]methyl ester

Suppliers and Price of Benzoic acid (3aS,4R,6aR)-2,2-dimethyl-tetrahydro-thieno[3,4-d][1,3]dioxol-4-ylmethyl ester

Supply Marketing:

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

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Chemical Property of Benzoic acid (3aS,4R,6aR)-2,2-dimethyl-tetrahydro-thieno[3,4-d][1,3]dioxol-4-ylmethyl ester

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:294.09258022
Heavy Atom Count:20
Complexity:365

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(OC2CSC(C2O1)COC(=O)C3=CC=CC=C3)C
Isomeric SMILES:CC1(O[C@H]2CS[C@@H]([C@H]2O1)COC(=O)C3=CC=CC=C3)C

Technology Process of Benzoic acid (3aS,4R,6aR)-2,2-dimethyl-tetrahydro-thieno[3,4-d][1,3]dioxol-4-ylmethyl ester

There total 15 articles about Benzoic acid (3aS,4R,6aR)-2,2-dimethyl-tetrahydro-thieno[3,4-d][1,3]dioxol-4-ylmethyl ester 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%

: 98-88-4
benzoyl chloride

: 596103-06-9
((3aS,4R,6aR)-2,2- dimethyltetrahydrothieno[3,4-d][1,3]dioxol-4-yl)methanol

: 596103-07-0
benzoic acid (3aS,4R,6aR)-2,2-dimethyl-tetrahydro-thieno[3,4-d][1,3]dioxol-4-ylmethyl ester

Guidance literature:: With pyridine; at 20 ℃; for 6h;
DOI:10.1021/jm034098e DOI:10.1021/jm050595e

Reference yield:

: C₁₇H₂₄O₁₀S₂

: 596103-07-0
benzoic acid (3aS,4R,6aR)-2,2-dimethyl-tetrahydro-thieno[3,4-d][1,3]dioxol-4-ylmethyl ester

Guidance literature:: With sodium sulfide hydrate; In N,N-dimethyl-formamide; at 100 ℃; for 15h;
DOI:10.1016/j.bmc.2016.05.041

Reference yield:

: 3969-61-7,20581-94-6,71771-89-6,73209-94-6,109008-02-8,120442-06-0,127707-49-7,28910-18-1
2,3:5,6-di-O-isopropylidene-D-gulitol

: 596103-07-0
benzoic acid (3aS,4R,6aR)-2,2-dimethyl-tetrahydro-thieno[3,4-d][1,3]dioxol-4-ylmethyl ester

Guidance literature:: Multi-step reaction with 6 steps

1: 98 percent / pyridine / 4 h / 0 °C

2: 94 percent / Na₂S*H₂O / dimethylformamide / 3 h / 100 °C

3: 43 percent / aq. AcOH / 4 h / 20 °C

4: 98 percent / Pb(OAc)4 / ethyl acetate / 0.17 h

5: 98 percent / NaBH₄ / methanol / 0.5 h / 0 °C

6: 99 percent / pyridine / 6 h / 20 °C

With pyridine; lead(IV) acetate; sodium sulfide; sodium tetrahydroborate; acetic acid; In methanol; ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1021/jm050595e