2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(2-methylphenyl)propanoate

Base Information

Chemical Name:2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(2-methylphenyl)propanoate
CAS No.:139558-50-2
Molecular Formula:C₁₅H₂₁NO₄
Molecular Weight:279.336
Hs Code.:
DSSTox Substance ID:DTXSID90930504
Wikidata:Q82905888
Mol file:139558-50-2.mol

Synonyms:DTXSID90930504;2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(2-methylphenyl)propanoate

Suppliers and Price of 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(2-methylphenyl)propanoate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(2-METHYLPHENYL)PROPANOIC ACID 95.00%
5MG
$ 496.51

Activate Scientific
N-Boc-2-methyl-DL-phenylalanine 95+%
25 g
$ 774.00

Activate Scientific
N-Boc-2-methyl-DL-phenylalanine 95+%
1 g
$ 80.00

Activate Scientific
N-Boc-2-methyl-DL-phenylalanine 95+%
5 g
$ 257.00

Acrotein
N-Boc-2-methyl-DL-phenylalanine 97%
5g
$ 165.00

Total 12 raw suppliers

Chemical Property of 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(2-methylphenyl)propanoate

Chemical Property:

Vapor Pressure:1.31E-08mmHg at 25°C
Melting Point:125-129°C
Refractive Index:1.5130 (estimate)
Boiling Point:442.5°C at 760 mmHg
Flash Point:221.4°C
PSA：75.63000
Density:1.1083 (rough estimate)
LogP:2.90630
Storage Temp.:Refrigerator (+4°C)
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:278.13923312
Heavy Atom Count:20
Complexity:343

Purity/Quality:

98%min ^*data from raw suppliers

2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(2-METHYLPHENYL)PROPANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=CC=C1CC(C(=O)[O-])NC(=O)OC(C)(C)C
Isomeric SMILES:CC1=CC=CC=C1C[C@@H](C(=O)[O-])NC(=O)OC(C)(C)C
Uses N-Boc-2-Methyl-DL-phenylalanine is used as a reactant in the preparation of oxytocin analogs with methylated phenylalanines.

Technology Process of 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(2-methylphenyl)propanoate

There total 1 articles about 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(2-methylphenyl)propanoate 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: 89.2%

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

: 80126-53-0,1991-86-2,80126-54-1
2'-methyl-(2S)-α-phenylalanine

: 80102-29-0,139558-50-2,114873-05-1
N^α-tert-butyloxycarbonyl-2'-methyl-L-phenylalanine

Guidance literature:: With triethylamine; In 1,4-dioxane; water; at 20 ℃; for 2h;
DOI:10.1021/jm061238m

Reference yield: 97.0%

: 65864-22-4
(S)-2-amino-3-phenylpropionamide hydrochloride

: 80102-29-0,139558-50-2,114873-05-1
N^α-tert-butyloxycarbonyl-2'-methyl-L-phenylalanine

: 943726-70-3
N^α-tert-butyloxycarbonyl-2'-methyl-L-phenylalanyl-L-phenylalanylamide

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 4h;
DOI:10.1021/jm061238m

Reference yield:

: 204387-54-2
(2S)-pyrrolidine-2-carbonitrile 4-methylbenzene-1-sulfonic acid

: 80102-29-0,139558-50-2,114873-05-1
N^α-tert-butyloxycarbonyl-2'-methyl-L-phenylalanine

: C₂₀H₂₇N₃O₃

Guidance literature:: N^α-tert-butyloxycarbonyl-2'-methyl-L-phenylalanine; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; for 0.5h;

(2S)-pyrrolidine-2-carbonitrile 4-methylbenzene-1-sulfonic acid; With triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 20h;
DOI:10.1016/j.bmc.2013.09.048