3-(3,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid

Base Information

• Chemical Name: 3-(3,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid
• CAS No.: 185321-62-4
• Molecular Formula: C14H17 Cl2 N O4
• Molecular Weight: 334.19508
• DSSTox Substance ID: DTXSID50393479
• Mol file: 185321-62-4.mol

Synonyms:185321-62-4;3-(3,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid;N-(tert-Butoxycarbonyl)-3,4-dichlorophenylalanine;2-TERT-BUTOXYCARBONYLAMINO-3-(3,4-DICHLORO-PHENYL)-PROPIONIC ACID;2-tert-butoxycarbonylamino-3-(3,4-dichlorophenyl)Propanoic acid;Boc-D-3,4-Dichlorophenylalanine;MFCD00151887;MFCD00273436;N-BOC-3,4-DICHLORO-D-PHENYLALANINE;SCHEMBL1748947;BOC-D-3,4-DICHLOROPHE;DTXSID50393479;BCP11560;AKOS009157233;AB04015;PD196807;SY037047;SY077473;FT-0641772;FT-0652861;Y13787;EN300-1071238;2-BOC-amino-3-(3,4-dichlorophenyl)propanoic acid;2-((tert-Butoxycarbonyl)amino)-3-(3,4-dichlorophenyl)propanoic acid;2-{[(tert-butoxy)carbonyl]amino}-3-(3,4-dichlorophenyl)propanoic acid

Chemical Property of 3-(3,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid

Chemical Property:

• PSA: 75.63000
• LogP: 3.90470
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 333.0534634
• Heavy Atom Count: 21
• Complexity: 384

Purity/Quality:

99% ^*data from raw suppliers

2-TERT-BUTOXYCARBONYLAMINO-3-(3,4-DICHLORO-PHENYL)-PROPIONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)Cl)Cl)C(=O)O

Technology Process of 3-(3,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid

There total 1 articles about 3-(3,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]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:

di-tert-butyl dicarbonate (24424-99-5) + 2-amino-3-(3,4-dichlorophenyl)propionic acid (5472-67-3,52794-99-7) → 2-tert-butyloxycarbonylamino-3-(3,4-dichlorophenyl)propionic acid (185321-62-4,114873-13-1,80741-39-5)

Guidance literature:

With sodium hydroxide; sodium hydrogencarbonate; In 1,4-dioxane; at 0 - 20 ℃;

DOI:10.1016/0968-0896(96)00185-X

Reference yield: 100.0%

4-piperidinopiperidin (4897-50-1) + 2-tert-butyloxycarbonylamino-3-(3,4-dichlorophenyl)propionic acid (185321-62-4,114873-13-1,80741-39-5) → C24H35Cl2N3O3

Guidance literature:

With benzotriazol-1-ol; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide;

Reference yield: 56.0%

4-(piperazin-1-yl)pyridine (1008-91-9) + 2-tert-butyloxycarbonylamino-3-(3,4-dichlorophenyl)propionic acid (185321-62-4,114873-13-1,80741-39-5) → C23H28Cl2N4O3

Guidance literature:

With benzotriazol-1-ol; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide;

upstream raw materials:

di-tert-butyl dicarbonate

2-amino-3-(3,4-dichlorophenyl)propionic acid

Downstream raw materials:

3-amino-4-(3,4-dichlorophenyl)butyric acid 2-trimethylsilanyl ethyl ester

[3-diazo-1-(3,4-dichlorobenzyl)-2-oxo-propyl]carbamic acid tert-butyl ester

3-tert-butoxycarbonylamino-4-(3,4-dichlorophenyl)butyric acid 2-trimethylsilanyl ethyl ester