Boc-asp-ome

Base Information

• Chemical Name: Boc-asp-ome
• CAS No.: 98045-03-5
• Molecular Formula: C₁₀H₁₇NO₆
• Molecular Weight: 247.248
• European Community (EC) Number: 868-054-5
• Nikkaji Number: J1.332.447F
• Mol file: 98045-03-5.mol

Synonyms:BOC-ASP-OME;98045-03-5;N-Boc-L-aspartic Acid 1-Methyl Ester;(3S)-3-{[(tert-butoxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid;N-BOC-L-Aspartic acid, 1-methyl ester;1-Methyl N-Boc-L-Aspartate;(3S)-4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid;MFCD03094777;N-tert-Butoxycarbonylaspartic acid a-methyl ester;SCHEMBL1277727;IWFIVTBTZUCTQH-LURJTMIESA-N;Boc-L-aspartic acid 1-methyl ester;AKOS025289417;CS-W019527;DS-9771;HY-W018741;M2970;1-Methyl N-(tert-Butoxycarbonyl)-L-aspartate;EN300-256054;M06171;N-(tert-Butoxycarbonyl)aspartic acid 1-methyl ester;N-(tert-Butoxycarbonyl)-L-aspartic Acid 1-Methyl Ester;(S)-2-t-Butoxycarbonylamino-succinic acid 1-methyl ester;(S)-3-[(t-butoxycarbonyl)amino]-4-methoxy-4-oxobutanoic acid;(S)-3-((tert-Butoxycarbonyl)amino)-4-methoxy-4-oxobutanoic acid;(3S)-3-[(tert-Butoxycarbonyl)amino]-4-methoxy-4-oxobutanoic acid, AldrichCPR

Chemical Property of Boc-asp-ome

Chemical Property:

• Melting Point: 79-81℃
• Boiling Point: 407.1±40.0 °C(Predicted)
• PKA: 4.09±0.19(Predicted)
• PSA: 101.93000
• Density: 1.209
• LogP: 0.91830
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 247.10558726
• Heavy Atom Count: 17
• Complexity: 306

Purity/Quality:

97% ^*data from raw suppliers

Boc-Asp-OMe ^*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)C(=O)OC
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)OC
• Uses: N-Boc-L-aspartic acid 1-methyl ester is used as an intermediate in the preparation of modified alfa-amino acids and 5-cis-alkylprolines.

Technology Process of Boc-asp-ome

There total 11 articles about Boc-asp-ome 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: 100.0%

4-benzyl 1-methyl N-(tert-butoxycarbonyl)-L-aspartate (80963-12-8) → α-methyl N-(tert-butoxycarbonyl)aspartate (98045-03-5,137130-65-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 20 ℃; for 2h; under 2068.65 Torr;

DOI:10.1039/b702076g

Reference yield: 100.0%

α-Methyl β-benzyl (2R)-N-(tert-butoxycarbonyl)aspartate diester (80963-12-8) → (R)-3-(tert-butoxycarbonylamino)-4-methoxy-4-oxobutanoic acid (98045-03-5,137130-65-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 3h; Ambient temperature;

Reference yield: 98.0%

Boc-Asp(OAll)-OMe → α-methyl N-(tert-butoxycarbonyl)aspartate (98045-03-5,137130-65-5)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; N-methyl-N-trimethylsilyl-2,2,2-trifluoroacetamide; In dichloromethane; Ambient temperature;

DOI:10.1016/0040-4039(95)01147-A

upstream raw materials:

methanol

Boc-Asp-OH

methyl (S)-2-[(tert-butoxycarbonyl)amino]-3-[3-[(S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl]phenyl]propanoate

4-benzyl 1-methyl N-(tert-butoxycarbonyl)-L-aspartate

Downstream raw materials:

dimethyl N-tert-butoxycarbonyl-L-aspartate

methyl (S)-4-hydroxy-2-((tert-butoxy)carbonylamino)-butyrate

(2'''S)-4-((2',3',4',6'-tetra-O-benzyl-β-D-galactopyranosyl)methyl)-2-(2'''-(tert-butoxycarbonylamino)-2'''-(methoxycarbonyl)ethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid di-tert-butyl ester

(2'''S)-4-((2',3',4',6'-tetra-O-benzyl-β-D-galactopyranosyl)methyl)-2-(2'''-(tert-butoxycarbonylamino)-2'''-(methoxycarbonyl)ethyl)-6-methyl-3,5-dicarboxylic acid di-tert-butyl ester