(S)-2-((tert-Butoxycarbonyl)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic acid

Base Information

Chemical Name:(S)-2-((tert-Butoxycarbonyl)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic acid
CAS No.:623950-02-7
Molecular Formula:C17H24N2O5
Molecular Weight:336.388
Hs Code.:2924299090
DSSTox Substance ID:DTXSID80474381
Nikkaji Number:J2.190.332I
Wikidata:Q72434120
Mol file:623950-02-7.mol

Synonyms:623950-02-7;(S)-2-((tert-Butoxycarbonyl)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic acid;(S)-2-(tert-butoxycarbonylamino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic acid;(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;C17H24N2O5;4-(Aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl-L-phenylalanine;(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic acid;(S)-2-(Boc-Amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic acid;MFCD20528368;ZLUHLTMMROGKKD-ZDUSSCGKSA-N;SCHEMBL1055857;AMY5826;DTXSID80474381;BCP15918;CS-M3118;SC1127;AKOS015838057;DS-6527;AC-31823;HY-79680;PD196122;A854833;N-(tert-Butoxycarbonyl)-4-carbamoyl-2,6-dimethyl-L-phenylalanine;(S)-2-((tert-butoxycarbonyl)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoicacid;(S)-2-tert-Butoxycarbonylamino-3-(4-carbamoyl-2,6-dimethyl-phenyl)-propionic acid;(S)-2-tert-Butoxycarbonylamino-3-(4-carbamoyl-2,6-dimethylphenyl)propionic acid;(2S)-2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(4-CARBAMOYL-2,6-DIMETHYLPHENYL)PROPANOIC ACID;(S)-2-(tert-butoxycarbonyl)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic acid

Suppliers and Price of (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic acid

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

TRC
(S)-2-(Boc-Amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoicAcid
250mg
$ 345.00

Crysdot
(S)-2-((tert-Butoxycarbonyl)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoicacid 98%
5g
$ 679.00

Crysdot
(S)-2-((tert-Butoxycarbonyl)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoicacid 98%
1g
$ 216.00

ChemScene
L-Phenylalanine,4-(aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl- 99.48%
10g
$ 325.00

ChemScene
L-Phenylalanine,4-(aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl- 99.48%
25g
$ 523.00

ChemScene
L-Phenylalanine,4-(aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl- 99.48%
5g
$ 175.00

ChemScene
L-Phenylalanine,4-(aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl- 99.48%
1g
$ 60.00

ChemScene
L-Phenylalanine,4-(aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl- 99.48%
100g
$ 2000.00

Chemenu
(S)-2-((tert-butoxycarbonyl)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoicacid 98%
10g
$ 1038.00

Chemenu
(S)-2-((tert-butoxycarbonyl)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoicacid 98%
1g
$ 215.00

Total 70 raw suppliers

Chemical Property of (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic acid

Chemical Property:

Melting Point:>210℃
Boiling Point:497.1±45.0 °C(Predicted)
PKA:3.88±0.17(Predicted)
PSA：118.72000
Density:1.201
LogP:3.01390
Storage Temp.:2-8°C
XLogP3:2.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:336.16852187
Heavy Atom Count:24
Complexity:474

Purity/Quality:

97% ^*data from raw suppliers

(S)-2-(Boc-Amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoicAcid ^*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)C)C(=O)N
Isomeric SMILES:CC1=CC(=CC(=C1C[C@@H](C(=O)O)NC(=O)OC(C)(C)C)C)C(=O)N
Uses 4-(Aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl-L-phenylalanine is an intermediate used to prepare potential Dual delta-opioid antagonist/μ-opioid agonist used in the treatment of diarrhea. Irritable bowel syndrome.

Technology Process of (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic acid

There total 21 articles about (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic acid 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: 94.0%

: 623950-05-0
methyl (S)-2-((tert-butoxycarbonyl)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoate

: 623950-02-7
(S)-2-((tert-butoxycarbonyl)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic acid

Guidance literature:: With lithium hydroxide; water; In tetrahydrofuran;

Reference yield: 80.0%

: 1227311-10-5
methyl (S)-2-((tert-butoxycarbonyl)amino)-3-(4-cyano-2,6-dimethylphenyl)propanoate

: 623950-02-7
(S)-2-((tert-butoxycarbonyl)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic acid

Guidance literature:: With dihydrogen peroxide; potassium carbonate; In dimethyl sulfoxide; at 0 - 50 ℃; for 2h; Inert atmosphere; Green chemistry;