1,1-Dimethylethyl N-[(1S)-2-(3,4-dihydroxyphenyl)-1-[(dimethylamino)methyl]ethyl]carbamate

Base Information

Chemical Name:1,1-Dimethylethyl N-[(1S)-2-(3,4-dihydroxyphenyl)-1-[(dimethylamino)methyl]ethyl]carbamate
CAS No.:752251-03-9
Molecular Formula:C16H26N2O4
Molecular Weight:310.393
Hs Code.:
DSSTox Substance ID:DTXSID301122434

Synonyms:DTXSID301122434;1,1-Dimethylethyl N-[(1S)-2-(3,4-dihydroxyphenyl)-1-[(dimethylamino)methyl]ethyl]carbamate;752251-03-9

Suppliers and Price of 1,1-Dimethylethyl N-[(1S)-2-(3,4-dihydroxyphenyl)-1-[(dimethylamino)methyl]ethyl]carbamate

Supply Marketing:

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

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Chemical Property of 1,1-Dimethylethyl N-[(1S)-2-(3,4-dihydroxyphenyl)-1-[(dimethylamino)methyl]ethyl]carbamate

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:310.18925731
Heavy Atom Count:22
Complexity:355

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)O)O)CN(C)C
Isomeric SMILES:CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C=C1)O)O)CN(C)C

Technology Process of 1,1-Dimethylethyl N-[(1S)-2-(3,4-dihydroxyphenyl)-1-[(dimethylamino)methyl]ethyl]carbamate

There total 8 articles about 1,1-Dimethylethyl N-[(1S)-2-(3,4-dihydroxyphenyl)-1-[(dimethylamino)methyl]ethyl]carbamate 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: 100.0%

: 823235-82-1
(2S)-[2-(3,4-bis-benzyloxyphenyl)-1-(dimethylaminomethyl)ethyl]carbamic acid tert-butyl ester

: 752251-03-9
(S)-[1-(3,4-dihydroxy-benzyl)-2-dimethylamino-ethyl]-carbamic acid tert-butyl ester

Guidance literature:: With hydrogen; acetic acid; palladium on activated charcoal; In methanol; at 20 ℃; for 4h;
DOI:10.1021/jo701402b

Reference yield:

: 24424-99-5
di-tert-butyl dicarbonate

: 4-((S)-2-Amino-3-dimethylamino-propyl)-benzene-1,2-diol; hydrochloride

: 752251-03-9
(S)-[1-(3,4-dihydroxy-benzyl)-2-dimethylamino-ethyl]-carbamic acid tert-butyl ester

Guidance literature:: With sodium hydroxide; In 1,4-dioxane; at 20 ℃; pH=9 - 10;
DOI:10.1002/anie.200453909

Reference yield:

: 823235-81-0
(2S)-[2-(3,4-bis-benzyloxy-phenyl)-1-dimethylcarbamoyl-ethyl]-carbamic acid tert-butyl ester

: 752251-03-9
(S)-[1-(3,4-dihydroxy-benzyl)-2-dimethylamino-ethyl]-carbamic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: TFA / CH₂Cl₂ / 0 - 20 °C

2: BH₃*THF / tetrahydrofuran / Heating

3: 3.8 g / aq. NaOH / dioxane / 20 °C

4: H₂; AcOH / Pd/C / methanol / 4 h / 20 °C

With sodium hydroxide; borane-THF; hydrogen; acetic acid; trifluoroacetic acid; palladium on activated charcoal; In tetrahydrofuran; 1,4-dioxane; methanol; dichloromethane;
DOI:10.1021/ol048068x