2-Propanamine, 2-methyl-N-(phenylmethylene)-

Base Information

• Chemical Name: 2-Propanamine, 2-methyl-N-(phenylmethylene)-
• CAS No.: 6852-58-0
• Molecular Formula: C11H15N
• Molecular Weight: 161.247
• Hs Code.: 29215900
• European Community (EC) Number: 628-365-7
• DSSTox Substance ID: DTXSID7064493,DTXSID301233813
• Nikkaji Number: J1.553.919D,J123.416A
• Mol file: 6852-58-0.mol

Synonyms:N-(1,1-dimethylethyl)benzylamine;N-benzylidene-tert-butylamine;NBTBA cpd

Chemical Property of 2-Propanamine, 2-methyl-N-(phenylmethylene)-

Chemical Property:

• Vapor Pressure: 0.093mmHg at 25°C
• Melting Point: -30 ºC
• Refractive Index: n20/D 1.52(lit.)
• Boiling Point: 231.8 °C at 760 mmHg
• PKA: 6.31±0.50(Predicted)
• Flash Point: 85.6 °C
• PSA: 12.36000
• Density: 0.85 g/cm³
• LogP: 2.90400
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 161.120449483
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-(tert-Butyl)-1-phenylmethanimine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38-40-42/43
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)N=CC1=CC=CC=C1

Technology Process of 2-Propanamine, 2-methyl-N-(phenylmethylene)-

There total 89 articles about 2-Propanamine, 2-methyl-N-(phenylmethylene)- 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: 15.0%

(E)-2-tert-butyl-3-phenyloxaziridine (3585-81-7,7731-34-2,20378-51-2,63087-57-0,68907-09-5,88376-32-3) → N-benzylidene tert-butylamine (6852-58-0) + N-t-butylbenzamide (5894-65-5) + benzaldehyde (100-52-7)

Guidance literature:

With N-lithio-N-propylcyclobutylamine; In tetrahydrofuran; at -20 ℃; for 0.00833333h;

DOI:10.1016/S0040-4039(01)81273-9

Reference yield: 13.0%

N-tert-butylbenzylamine (3378-72-1) → N-benzylidene tert-butylamine (6852-58-0) + benzaldehyde (100-52-7)

Guidance literature:

With potassium carbonate; 1-(tert-butylperoxy)-1,2-benziodoxol-3(1H)-one; In benzene; for 5h; Ambient temperature;

DOI:10.3987/COM-97-S25

Reference yield:

cis-1-(1,1-dimethylethyl)-2,3-diphenylaziridine (90490-28-1) → N-benzylidene tert-butylamine (6852-58-0) + benzaldehyde (100-52-7) + N-tert-butylbenzylamine (3378-72-1)

Guidance literature:

With 9,10-Dicyanoanthracene; water; In dichloromethane; for 0.5h; Yield given. Yields of byproduct given; Irradiation;

DOI:10.1021/jo00049a054

upstream raw materials:

(E)-2-tert-butyl-3-phenyloxaziridine

N-lithio-N-butyl-5-methyl-1-hex-4-enamine

(2R,3R)-1-Isopropyl-2-methyl-3-phenyl-aziridine-2-carbonitrile

tert-butylamine

Downstream raw materials:

Trimethylsilanol

tert-butylamine

2-[(E)-2-phenylethenyl]pyridine

cis-N-tert-butyl-3-phenyl-4-carboxy-3,4-dihydro-1(2H)-isoquinolone