4-[(1,1-Dimethylethoxy)carbonyl]-alpha-methyl-L-phenylalanine

Base Information

Chemical Name:4-[(1,1-Dimethylethoxy)carbonyl]-alpha-methyl-L-phenylalanine
CAS No.:246539-86-6
Molecular Formula:C₁₅H₂₁NO₄
Molecular Weight:279.336
Hs Code.:
DSSTox Substance ID:DTXSID301195259

Synonyms:SCHEMBL6572609;DTXSID301195259;4-[(1,1-Dimethylethoxy)carbonyl]-alpha-methyl-L-phenylalanine;246539-86-6

Suppliers and Price of 4-[(1,1-Dimethylethoxy)carbonyl]-alpha-methyl-L-phenylalanine

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

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Chemical Property of 4-[(1,1-Dimethylethoxy)carbonyl]-alpha-methyl-L-phenylalanine

Chemical Property:

XLogP3:-0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:279.14705815
Heavy Atom Count:20
Complexity:367

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 4-[(1,1-Dimethylethoxy)carbonyl]-alpha-methyl-L-phenylalanine

There total 4 articles about 4-[(1,1-Dimethylethoxy)carbonyl]-alpha-methyl-L-phenylalanine 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: 99.0%

: 246539-85-5
(3S,5S,6R)-4-(benzyloxycarbonyl)-5,6-diphenyl-3-methyl-3-[4'-(tert-butyloxycarbonyl)benzyl]-2,3,5,6-tetrahydro-4H-1,4-oxazin-2-one

: 246539-86-6
L-(α-Me)Phe(4-CO2tBu)-OH

Guidance literature:: With hydrogen; palladium on activated charcoal; In tetrahydrofuran; ethanol;
DOI:10.1021/jm9911074

Reference yield:

: 13756-42-8
tert-butyl 4-methylbenzoate

: 246539-86-6
L-(α-Me)Phe(4-CO2tBu)-OH

Guidance literature:: Multi-step reaction with 3 steps

1.1: 77 percent / N-bromosuccinimide; benzoyl peroxide / CCl₄

2.1: KHMDS / tetrahydrofuran; toluene / 0.25 h / -78 °C

2.2: 44 percent / tetrahydrofuran; toluene / 0.01 h / -78 °C

3.1: 99 percent / H₂ / 10 percent Pd/C / ethanol; tetrahydrofuran

With N-Bromosuccinimide; hydrogen; potassium hexamethylsilazane; dibenzoyl peroxide; palladium on activated charcoal; In tetrahydrofuran; tetrachloromethane; ethanol; toluene; 1.1: Bromination / 2.1: Metallation / 2.2: Substitution / 3.1: Catalytic hydrogenation;
DOI:10.1021/jm9911074

Reference yield:

: 108052-76-2
4-(bromomethyl)benzoic acid 1,1-dimethylethyl ester

: 246539-86-6
L-(α-Me)Phe(4-CO2tBu)-OH

Guidance literature:: Multi-step reaction with 2 steps

1.1: KHMDS / tetrahydrofuran; toluene / 0.25 h / -78 °C

1.2: 44 percent / tetrahydrofuran; toluene / 0.01 h / -78 °C

2.1: 99 percent / H₂ / 10 percent Pd/C / ethanol; tetrahydrofuran

With hydrogen; potassium hexamethylsilazane; palladium on activated charcoal; In tetrahydrofuran; ethanol; toluene; 1.1: Metallation / 1.2: Substitution / 2.1: Catalytic hydrogenation;
DOI:10.1021/jm9911074