5-Hexenoyl chloride, 2-(benzoyloxy)-3-methoxy-5-methyl-, (2S,3S)-

Base Information

Chemical Name:5-Hexenoyl chloride, 2-(benzoyloxy)-3-methoxy-5-methyl-, (2S,3S)-
CAS No.:864514-33-0
Molecular Formula:C15H17ClO4
Molecular Weight:296.751
Hs Code.:
DSSTox Substance ID:DTXSID40470647
Nikkaji Number:J2.423.244A
Wikidata:Q82298803

Synonyms:5-Hexenoyl chloride, 2-(benzoyloxy)-3-methoxy-5-methyl-, (2S,3S)-;864514-33-0;SCHEMBL14064521;DTXSID40470647

Suppliers and Price of 5-Hexenoyl chloride, 2-(benzoyloxy)-3-methoxy-5-methyl-, (2S,3S)-

Supply Marketing:

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

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Chemical Property of 5-Hexenoyl chloride, 2-(benzoyloxy)-3-methoxy-5-methyl-, (2S,3S)-

Chemical Property:

XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:296.0815367
Heavy Atom Count:20
Complexity:361

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=C)CC(C(C(=O)Cl)OC(=O)C1=CC=CC=C1)OC
Isomeric SMILES:CC(=C)C[C@@H]([C@@H](C(=O)Cl)OC(=O)C1=CC=CC=C1)OC

Technology Process of 5-Hexenoyl chloride, 2-(benzoyloxy)-3-methoxy-5-methyl-, (2S,3S)-

There total 8 articles about 5-Hexenoyl chloride, 2-(benzoyloxy)-3-methoxy-5-methyl-, (2S,3S)- 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:

: 864514-16-9
Benzoic acid (1S,2S)-1-carboxy-2-methoxy-4-methyl-pent-4-enyl ester

: 864514-33-0
Benzoic acid (1S,2S)-1-chlorocarbonyl-2-methoxy-4-methyl-pent-4-enyl ester

Guidance literature:: With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 2h;
DOI:10.1021/ja0537068

Reference yield:

: 864514-19-2
Benzoic acid (1R,2S)-1-hydroxymethyl-2-methoxy-4-methyl-pent-4-enyl ester

: 864514-33-0
Benzoic acid (1S,2S)-1-chlorocarbonyl-2-methoxy-4-methyl-pent-4-enyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: NaHCO₃; Dess-Martin periodinane / CH₂Cl₂ / 1 h / 20 °C

2: NaH₂PO₄; aq. NaClO₂; 2-methyl-2-butene / 2-methyl-propan-2-ol / 0 - 20 °C

3: oxalyl chloride; DMF / CH₂Cl₂ / 2 h / 20 °C

With sodium chlorite; sodium dihydrogenphosphate; 2-methyl-but-2-ene; oxalyl dichloride; sodium hydrogencarbonate; Dess-Martin periodane; N,N-dimethyl-formamide; In dichloromethane; tert-butyl alcohol;
DOI:10.1021/ja0537068

Reference yield:

: 861842-50-4
(2R,3S)-3-methoxy-5-methyl-5-hexene-1,2-diol

: 864514-33-0
Benzoic acid (1S,2S)-1-chlorocarbonyl-2-methoxy-4-methyl-pent-4-enyl ester

Guidance literature:: Multi-step reaction with 6 steps

1: imidazole / CH₂Cl₂ / 0.5 h / 0 °C

2: pyridine / 1 h / 20 °C

3: aq. HCl / tetrahydrofuran / 2 h / 20 °C

4: NaHCO₃; Dess-Martin periodinane / CH₂Cl₂ / 1 h / 20 °C

5: NaH₂PO₄; aq. NaClO₂; 2-methyl-2-butene / 2-methyl-propan-2-ol / 0 - 20 °C

6: oxalyl chloride; DMF / CH₂Cl₂ / 2 h / 20 °C

With 1H-imidazole; hydrogenchloride; sodium chlorite; sodium dihydrogenphosphate; 2-methyl-but-2-ene; oxalyl dichloride; sodium hydrogencarbonate; Dess-Martin periodane; N,N-dimethyl-formamide; In tetrahydrofuran; pyridine; dichloromethane; tert-butyl alcohol;
DOI:10.1021/ja0537068