1,1-Dimethylethyl (betaS)-beta-amino-3,4-dimethoxybenzenepropanoate

Base Information

Chemical Name:1,1-Dimethylethyl (betaS)-beta-amino-3,4-dimethoxybenzenepropanoate
CAS No.:181517-87-3
Molecular Formula:C₁₅H₂₃NO₄
Molecular Weight:281.352
Hs Code.:
DSSTox Substance ID:DTXSID401183093
Nikkaji Number:J1.810.049E

Synonyms:DTXSID401183093;181517-87-3;1,1-Dimethylethyl (betaS)-beta-amino-3,4-dimethoxybenzenepropanoate

Suppliers and Price of 1,1-Dimethylethyl (betaS)-beta-amino-3,4-dimethoxybenzenepropanoate

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 (betaS)-beta-amino-3,4-dimethoxybenzenepropanoate

Chemical Property:

XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:281.16270821
Heavy Atom Count:20
Complexity:314

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 1,1-Dimethylethyl (betaS)-beta-amino-3,4-dimethoxybenzenepropanoate

There total 6 articles about 1,1-Dimethylethyl (betaS)-beta-amino-3,4-dimethoxybenzenepropanoate 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%

: 496912-12-0
tert-butyl (3S,αR)-3-(N-benzyl-N-α-methylbenzylamino)-3-(3,4-dimethoxyphenyl)propanoate

: 181517-87-3
(3S)-amino-3-(3,4-dimethoxyphenyl)propionic acid t-butyl ester

Guidance literature:: With hydrogen; palladium on activated charcoal; In methanol; for 3h; under 750.06 Torr;
DOI:10.1055/s-2002-34389

Reference yield:

: 40918-98-7
(E)-3-(3,4-dimethoxyphenyl)acrylic acid tert-butyl ester

: 181517-87-3
(3S)-amino-3-(3,4-dimethoxyphenyl)propionic acid t-butyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: n-BuLi / tetrahydrofuran; hexane / 0.5 h / -78 °C

1.2: 95 percent / tetrahydrofuran; hexane / 3 h / -78 °C

2.1: 85 percent / H₂; acetic acid / Pd(OH)2/C / methanol; H₂O / 24 h / 20 °C / 760.05 Torr

With n-butyllithium; hydrogen; acetic acid; palladium dihydroxide; In tetrahydrofuran; methanol; hexane; water;
DOI:10.1016/j.tetasy.2007.06.008

Reference yield:

: 14737-89-4
3,4-dimethoxy-trans-cinnamic acid

: 181517-87-3
(3S)-amino-3-(3,4-dimethoxyphenyl)propionic acid t-butyl ester

Guidance literature:: Multi-step reaction with 4 steps

1.1: (COCl)2 / CH₂Cl₂ / 3 h / 20 °C

2.1: 39.44 g / CH₂Cl₂ / 20 °C

3.1: BuLi / tetrahydrofuran; hexane / 1 h / -78 °C

3.2: 97 percent / tetrahydrofuran; hexane / 2 h / -70 °C

4.1: 92 percent / H₂ / 10 percent Pd/C / methanol / 3 h / 750.06 Torr

With n-butyllithium; oxalyl dichloride; hydrogen; palladium on activated charcoal; In tetrahydrofuran; methanol; hexane; dichloromethane;
DOI:10.1055/s-2002-34389