Boc-4-amino-4-methyl-pentanoic acid

Base Information

• Chemical Name: Boc-4-amino-4-methyl-pentanoic acid
• CAS No.: 1249372-40-4
• Molecular Formula: C11H21NO4
• Molecular Weight: 231.28874
• Hs Code.: 29225090
• European Community (EC) Number: 861-330-6
• Mol file: 1249372-40-4.mol

Synonyms:1249372-40-4;Boc-4-amino-4-methyl-pentanoic acid;4-([(tert-Butoxy)carbonyl]amino)-4-methylpentanoic acid;4-{[(tert-butoxy)carbonyl]amino}-4-methylpentanoic acid;4-Bocamino-4-methyl-pentanoic acid;4-tert-Butoxycarbonylamino-4-methyl-pentanoic acid;4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;4-(Boc-amino)-4-methylpentanoic acid;4-((tert-butoxycarbonyl)amino)-4-methylpentanoic acid;Boc-4-amino-4-methyl-pentanoicacid;ZZB37240;MFCD16169124;AKOS008150073;SB32197;CS-0114807;EN300-75821;D95588;A1-03699;J-005182;F8887-2907;Z916971212

Chemical Property of Boc-4-amino-4-methyl-pentanoic acid

Chemical Property:

• Boiling Point: 369.9±25.0 °C(Predicted)
• PKA: 4.65±0.10(Predicted)
• PSA: 75.63000
• Density: 1.065±0.06 g/cm3(Predicted)
• LogP: 2.54540
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 231.14705815
• Heavy Atom Count: 16
• Complexity: 266

Purity/Quality:

99% ^*data from raw suppliers

Boc-4-amino-4-methyl-pentanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(C)(C)CCC(=O)O

Technology Process of Boc-4-amino-4-methyl-pentanoic acid

There total 3 articles about Boc-4-amino-4-methyl-pentanoic 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:

2-tert-butoxycarbonylamino-2-methylpropanal (109608-77-7) → 4-((tert-butoxycarbonyl)amino)-4-methylpentanoic acid (1249372-40-4)

Guidance literature:

Multi-step reaction with 3 steps

1: tetrahydrofuran

2: palladium on carbon; hydrogen / methanol / 5 h / 20 °C

3: sodium hydroxide; water / methanol

With palladium on carbon; water; hydrogen; sodium hydroxide; In tetrahydrofuran; methanol;

DOI:10.1039/c3cc45383a

Reference yield:

(2E)-4-tert-butoxycarbonylamino-4-methylpent-2-enoic acid ethyl ester (181645-93-2) → 4-((tert-butoxycarbonyl)amino)-4-methylpentanoic acid (1249372-40-4)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium on carbon; hydrogen / methanol / 5 h / 20 °C

2: sodium hydroxide; water / methanol

With palladium on carbon; water; hydrogen; sodium hydroxide; In methanol;

DOI:10.1039/c3cc45383a

Reference yield:

ethyl 4-((tert-butoxycarbonyl)amino)-4-methylpentanoate (1198225-82-9) → 4-((tert-butoxycarbonyl)amino)-4-methylpentanoic acid (1249372-40-4)

Guidance literature:

With water; sodium hydroxide; In methanol;

DOI:10.1039/c3cc45383a

upstream raw materials:

2-tert-butoxycarbonylamino-2-methylpropanal

(2E)-4-tert-butoxycarbonylamino-4-methylpent-2-enoic acid ethyl ester

ethyl 4-((tert-butoxycarbonyl)amino)-4-methylpentanoate