[(1R)-1-(2R)-Oxiranyl-2-(phenylthio)ethyl]-carbamic Acid Phenylmethyl Ester

Base Information

Chemical Name:[(1R)-1-(2R)-Oxiranyl-2-(phenylthio)ethyl]-carbamic Acid Phenylmethyl Ester
CAS No.:159878-03-2
Molecular Formula:C₁₈H₁₉NO₃S
Molecular Weight:329.42
Hs Code.:
DSSTox Substance ID:DTXSID201160277

Synonyms:159878-03-2;[(1R)-1-(2R)-Oxiranyl-2-(phenylthio)ethyl]-carbamic Acid Phenylmethyl Ester;Benzyl ((R)-1-((R)-oxiran-2-yl)-2-(phenylthio)ethyl)carbamate;benzyl N-[(1R)-1-[(2R)-oxiran-2-yl]-2-phenylsulfanylethyl]carbamate;starbld0008384;PTFJNZDQRVPSQX-IRXDYDNUSA-N;DTXSID201160277;Phenylmethyl N-[(1R)-1-(2R)-2-oxiranyl-2-(phenylthio)ethyl]carbamate

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Chemical Property of [(1R)-1-(2R)-Oxiranyl-2-(phenylthio)ethyl]-carbamic Acid Phenylmethyl Ester

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:329.10856464
Heavy Atom Count:23
Complexity:367

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1C(O1)C(CSC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
Isomeric SMILES:C1[C@H](O1)[C@H](CSC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Technology Process of [(1R)-1-(2R)-Oxiranyl-2-(phenylthio)ethyl]-carbamic Acid Phenylmethyl Ester

There total 9 articles about [(1R)-1-(2R)-Oxiranyl-2-(phenylthio)ethyl]-carbamic Acid Phenylmethyl 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: 92.0%

: 265135-70-4
(2R,3R)-1-(4-methylbenxenesulfonyloxy)-3-benzyloxycarbonylamino-2-hydroxy-4-(phenylthio)butane

: 159878-03-2
(2R,3R)-3-benzyloxycarbonylamino-4-(phenylthio)1-buteneoxide

Guidance literature:: With potassium hydroxide; In water; isopropyl alcohol; at 20 ℃; for 1h;
DOI:10.1021/jo991793e

Reference yield:

: 65-85-0,8013-63-6
benzoic acid

: 159878-03-2
(2R,3R)-3-benzyloxycarbonylamino-4-(phenylthio)1-buteneoxide

Guidance literature:: Multi-step reaction with 7 steps

1: H₂ / Pd/C / propan-2-ol / 9 h / 60 °C

2: K₂CO₃ / toluene; H₂O / 3 h / 20 °C

3: Et₃N / toluene / 1.5 h / 10 °C

4: 1.93 kg / NaOH; Bu₄NBr / toluene; H₂O / 2.5 h / 55 °C

5: aq. HCl / methanol / 3.5 h / Heating

6: 67 percent / pyridine / 4.25 h / 0 - 20 °C

7: 92 percent / KOH / propan-2-ol; H₂O / 1 h / 20 °C

With pyridine; hydrogenchloride; potassium hydroxide; sodium hydroxide; tetrabutylammomium bromide; hydrogen; potassium carbonate; triethylamine; palladium on activated charcoal; In methanol; water; isopropyl alcohol; toluene; 1: Hydrogenolysis / 2: Condensation / 3: Condensation / 4: Substitution / 5: Hydrolysis / 6: Tosylation / 7: Cyclization;
DOI:10.1021/jo991793e

Reference yield:

: 501-53-1,94274-21-2
benzyl chloroformate

: 159878-03-2
(2R,3R)-3-benzyloxycarbonylamino-4-(phenylthio)1-buteneoxide

Guidance literature:: Multi-step reaction with 7 steps

1: NaHCO₃ / toluene; H₂O

2: PPTS / acetone

3: Et₃N / toluene / 1.5 h / 10 °C

4: 1.93 kg / NaOH; Bu₄NBr / toluene; H₂O / 2.5 h / 55 °C

5: aq. HCl / methanol / 3.5 h / Heating

6: 67 percent / pyridine / 4.25 h / 0 - 20 °C

7: 92 percent / KOH / propan-2-ol; H₂O / 1 h / 20 °C

With pyridine; hydrogenchloride; potassium hydroxide; sodium hydroxide; tetrabutylammomium bromide; pyridinium p-toluenesulfonate; sodium hydrogencarbonate; triethylamine; In methanol; water; isopropyl alcohol; acetone; toluene; 1: Condensation / 2: Isomerization / 3: Condensation / 4: Substitution / 5: Hydrolysis / 6: Tosylation / 7: Cyclization;
DOI:10.1021/jo991793e