3-[(Tert-butoxycarbonyl)amino]-3-(2,3-dichlorophenyl)propanoic acid

Base Information

• Chemical Name: 3-[(Tert-butoxycarbonyl)amino]-3-(2,3-dichlorophenyl)propanoic acid
• CAS No.: 284493-64-7
• Molecular Formula: C14H17 Cl2 N O4
• Molecular Weight: 334.199
• DSSTox Substance ID: DTXSID301148210
• Mol file: 284493-64-7.mol

Synonyms:284493-64-7;3-n-boc-3-(2,3-dichlorophenyl)propionic acid;3-[(tert-butoxycarbonyl)amino]-3-(2,3-dichlorophenyl)propanoic acid;BOc-3-Amino-3-(2,3-dichlorophenyl)-propionic acid;3-(2,3-dichlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid;3-{[(tert-butoxy)carbonyl]amino}-3-(2,3-dichlorophenyl)propanoic acid;3-((TERT-BUTOXYCARBONYL)AMINO)-3-(2,3-DICHLOROPHENYL)PROPANOIC ACID;SCHEMBL381756;Boc-(S)-3-amino-3-(2,3-dichlorophenyl)propionic acid;KGXWCCCBQSYUKL-UHFFFAOYSA-N;DTXSID301148210;MFCD02090706;AKOS005102305;AB15141;AB15214;CS-0161276;FT-0644339;W18833;EN300-1629460;8Y-0803;BOc-3-Amino-3-(2,3-dichlorophenyl)-propionicacid;Boc-(S)-3-Amino-3-(2,3-dichloro-phenyl)-propionicacid;3-(tert-butoxycarbonylamino)-3-(2,3-dichlorophenyl)propanoic acid;2,3-Dichloro-beta-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid

Chemical Property of 3-[(Tert-butoxycarbonyl)amino]-3-(2,3-dichlorophenyl)propanoic acid

Chemical Property:

• PSA: 75.63000
• LogP: 4.42480
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• 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%min ^*data from raw suppliers

3-[(tert-Butoxycarbonyl)amino]-3-(2,3-dichlorophenyl)propanoic acid ^*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(CC(=O)O)C1=C(C(=CC=C1)Cl)Cl

Technology Process of 3-[(Tert-butoxycarbonyl)amino]-3-(2,3-dichlorophenyl)propanoic acid

There total 1 articles about 3-[(Tert-butoxycarbonyl)amino]-3-(2,3-dichlorophenyl)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: 79.0%

di-tert-butyl dicarbonate (24424-99-5) + 3-amino-3-(2,3-dichlorophenyl)propanoic acid (117391-56-7) → 3-[(tert-Butoxycarbonyl)amino]-3-(2,3-dichlorophenyl)propanoic acid (284493-64-7,499995-82-3,500788-91-0)

Guidance literature:

di-tert-butyl dicarbonate; 3-amino-3-(2,3-dichlorophenyl)propanoic acid; With sodium hydrogencarbonate; In 1,4-dioxane; water; at 20 ℃; for 16h;

With hydrogenchloride; In 1,4-dioxane; water; pH=1;

Reference yield: 95.0%

3-[(tert-Butoxycarbonyl)amino]-3-(2,3-dichlorophenyl)propanoic acid (284493-64-7,499995-82-3,500788-91-0) → tert-Butyl [1-(2,3-dichlorophenyl)-3-hydroxypropyl]carbamate (1245622-81-4)

Guidance literature:

3-[(tert-Butoxycarbonyl)amino]-3-(2,3-dichlorophenyl)propanoic acid; With triethylamine; isobutyl chloroformate; In tetrahydrofuran; at 0 ℃; for 1h;

With sodium tetrahydroborate; water; In tetrahydrofuran; at 0 ℃;

upstream raw materials:

di-tert-butyl dicarbonate

3-amino-3-(2,3-dichlorophenyl)propanoic acid

Downstream raw materials:

tert-Butyl [1-(2,3-dichlorophenyl)-3-hydroxypropyl]carbamate

Refernces