Carbamic acid, (4,5-dihydroxypentyl)-, phenylmethyl ester, (S)-

Base Information

Chemical Name:Carbamic acid, (4,5-dihydroxypentyl)-, phenylmethyl ester, (S)-
CAS No.:94944-65-7
Molecular Formula:C13H19NO4
Molecular Weight:253.298
Hs Code.:
DSSTox Substance ID:DTXSID501173314

Synonyms:DTXSID501173314;Carbamic acid, (4,5-dihydroxypentyl)-, phenylmethyl ester, (S)-;94944-65-7

Suppliers and Price of Carbamic acid, (4,5-dihydroxypentyl)-, phenylmethyl ester, (S)-

Supply Marketing:

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

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Chemical Property of Carbamic acid, (4,5-dihydroxypentyl)-, phenylmethyl ester, (S)-

Chemical Property:

XLogP3:0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:253.13140809
Heavy Atom Count:18
Complexity:229

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)COC(=O)NCCCC(CO)O
Isomeric SMILES:C1=CC=C(C=C1)COC(=O)NCCC[C@@H](CO)O

Technology Process of Carbamic acid, (4,5-dihydroxypentyl)-, phenylmethyl ester, (S)-

There total 3 articles about Carbamic acid, (4,5-dihydroxypentyl)-, phenylmethyl ester, (S)- 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: 60.0%

: 94944-64-6
(S)-N-<(benzyloxy)carbonyl>-1,2-O-isopropylidene-5-amino-1,2-pentanediol

: 94944-65-7
(S)-N-<(benzyloxy)carbonyl>-5-amino-1,2-pentanediol

Guidance literature:: With trifluoroacetic acid; for 0.0833333h; Ambient temperature;
DOI:10.1021/jo00206a040

Reference yield:

: 94944-62-4
(S)-4,5-O-isopropylidene-4,5-dihydroxypentanenitrile

: 94944-65-7
(S)-N-<(benzyloxy)carbonyl>-5-amino-1,2-pentanediol

Guidance literature:: Multi-step reaction with 3 steps

1: 70 percent / lithium aluminum hydride / diethyl ether / 5 h / Heating

2: 93 percent / magnesium oxide / H₂O / 3 h / 0 °C

3: 60 percent / 90percent aq. trifluoroacetic acid / 0.08 h / Ambient temperature

With lithium aluminium tetrahydride; magnesium oxide; trifluoroacetic acid; In diethyl ether; water;
DOI:10.1021/jo00206a040

Reference yield:

: 94944-63-5
(S)-1,2-O-isopropylidene-5-amino-1,2-pentanediol

: 94944-65-7
(S)-N-<(benzyloxy)carbonyl>-5-amino-1,2-pentanediol

Guidance literature:: Multi-step reaction with 2 steps

1: 93 percent / magnesium oxide / H₂O / 3 h / 0 °C

2: 60 percent / 90percent aq. trifluoroacetic acid / 0.08 h / Ambient temperature

With magnesium oxide; trifluoroacetic acid; In water;
DOI:10.1021/jo00206a040