N-(2-Ethyl-6-methylphenyl)-D-alanine

Base Information

Chemical Name:N-(2-Ethyl-6-methylphenyl)-D-alanine
CAS No.:82508-05-2
Molecular Formula:C₁₂H₁₇NO₂
Molecular Weight:207.272
Hs Code.:
DSSTox Substance ID:DTXSID40509800
Wikidata:Q82367667

Synonyms:82508-05-2;N-(2-Ethyl-6-methylphenyl)-D-alanine;DTXSID40509800

Suppliers and Price of N-(2-Ethyl-6-methylphenyl)-D-alanine

Supply Marketing:

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

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Chemical Property of N-(2-Ethyl-6-methylphenyl)-D-alanine

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:207.125928785
Heavy Atom Count:15
Complexity:218

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=CC=CC(=C1NC(C)C(=O)O)C
Isomeric SMILES:CCC1=CC=CC(=C1N[C@H](C)C(=O)O)C

Technology Process of N-(2-Ethyl-6-methylphenyl)-D-alanine

There total 2 articles about N-(2-Ethyl-6-methylphenyl)-D-alanine 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:

: 69516-03-6,75386-37-7,57836-79-0
N-(1'-methoxy-carbonyl-ethyl)-2-methyl-6-ethyl-aniline

: 82508-05-2
(R)-(+)-N-(2-Ethyl-6-methyl-phenyl)-alanin

: 69516-03-6
(S)-(-)-N-(2-Ethyl-6-methyl-phenyl)-alaninmethylester

Guidance literature:: With phosphate buffer; Pseudomonas sp. lipase; In water; at 37 ℃; for 60h; pH=8.0;
DOI:10.1139/V06-129

Reference yield:

: 24549-06-2
6-ethyl-o-toluidine

: 82508-05-2
(R)-(+)-N-(2-Ethyl-6-methyl-phenyl)-alanin

Guidance literature:: Multi-step reaction with 2 steps

1: 67.2 percent / NaHCO₃ / 19 h / 120 - 125 °C

2: Pseudomonas sp. lipase; phosphate buffer / H₂O / 60 h / 37 °C / pH 8.0

With phosphate buffer; Pseudomonas sp. lipase; sodium hydrogencarbonate; In water;
DOI:10.1139/V06-129

Reference yield:

: 82508-05-2
(R)-(+)-N-(2-Ethyl-6-methyl-phenyl)-alanin

: (aR,1'R)-N-(1'-Methyl-2'-methoxyethyl)-N-chloracetyl-2-ethyl-6-methylanilin

Guidance literature:: Multi-step reaction with 4 steps

1: 96.8 g / BH₃*S(CH₃)2 / tetrahydrofuran / 20 h / Heating

2: Na₂CO₃ / benzene / 3 h / Ambient temperature

3: Et₃N / toluene / 20 h / Heating

4: 56 percent / 98 percent H₂SO₄ / 40 h / Heating

With dimethylsulfide borane complex; sulfuric acid; sodium carbonate; triethylamine; In tetrahydrofuran; toluene; benzene;
DOI:10.1515/znb-1982-0411