3-Cbz-amino-butylamine

Base Information

• Chemical Name: 3-Cbz-amino-butylamine
• CAS No.: 885277-95-2
• Molecular Formula: C₁₂H₁₈N₂O₂
• Molecular Weight: 222.287
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID90693086
• Mol file: 885277-95-2.mol

Synonyms:3-CBZ-AMINO-BUTYLAMINE;DTXSID90693086;Benzyl 4-hydrazinyl-2-methylbutanoate;AB30328;AB30345

Chemical Property of 3-Cbz-amino-butylamine

Chemical Property:

• Boiling Point: 373.8 °C at 760 mmHg
• Flash Point: 179.8 °C
• PSA: 64.35000
• Density: 1.086 g/cm³
• LogP: 2.74130
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 222.136827821
• Heavy Atom Count: 16
• Complexity: 203

Purity/Quality:

97% ^*data from raw suppliers

3-Z-amino-butylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCNN)C(=O)OCC1=CC=CC=C1

Technology Process of 3-Cbz-amino-butylamine

There total 1 articles about 3-Cbz-amino-butylamine 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: 96.0%

1,1-dimethylethyl phenylmethyl 1,3-butanediylbiscarbamate (878799-19-0) → benzyl (3-amino-1-methylpropyl)carbamate (168828-15-7,885277-95-2)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃;

DOI:10.1021/acs.jmedchem.5b01374

Reference yield:

benzyl (3-amino-1-methylpropyl)carbamate (168828-15-7,885277-95-2) → benzyl {3-[(1-adamantylmethyl)amino]-1-methylpropyl}carbamate

Guidance literature:

Multi-step reaction with 2 steps

1: titanium(IV) isopropylate / 20 °C

2: sodium tetrahydroborate / ethanol / 24 h / 20 °C

With titanium(IV) isopropylate; sodium tetrahydroborate; In ethanol;

DOI:10.1021/acs.jmedchem.5b01374

Reference yield:

benzyl (3-amino-1-methylpropyl)carbamate (168828-15-7,885277-95-2) → benzyl (3-{[2-(1-adamantyl)ethyl]amino}-1-methylpropyl)carbamate

Guidance literature:

Multi-step reaction with 2 steps

1: titanium(IV) isopropylate / 20 °C

2: sodium tetrahydroborate / ethanol / 24 h / 20 °C

With titanium(IV) isopropylate; sodium tetrahydroborate; In ethanol;

DOI:10.1021/acs.jmedchem.5b01374

upstream raw materials:

1,1-dimethylethyl phenylmethyl 1,3-butanediylbiscarbamate

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