N-Benzylideneisopropylamine

Base Information

• Chemical Name: N-Benzylideneisopropylamine
• CAS No.: 6852-56-8
• Molecular Formula: C10H13 N
• Molecular Weight: 147.22
• Hs Code.: 2925290090
• European Community (EC) Number: 229-949-0
• NSC Number: 44828
• DSSTox Substance ID: DTXSID2064492
• Nikkaji Number: J120.995G
• Mol file: 6852-56-8.mol

Synonyms:N-Benzylideneisopropylamine;6852-56-8;2-Propanamine, N-(phenylmethylene)-;1-phenyl-N-propan-2-ylmethanimine;N-Benzylidene-1-methylethylamine;2-Propanamine,N-(phenylmethylene)-;Ethylamine, N-benzylidene-1-methyl-;EINECS 229-949-0;NSC 44828;AI3-61403;NSC44828;Benzylidene i-Propylamine;N-benzyl-ideneisopropylamine;N-Isoprpylbenzenemethanimine;SCHEMBL1920640;DTXSID2064492;SCHEMBL13947663;N-isopropyl-1-phenyl-methanimine;(E)-N-benzylidenepropan-2-amine;NSC-44828;AKOS005206739;AKOS024332523;(E)-ISOPROPYL(PHENYLMETHYLIDENE)AMINE;FT-0636275;N-[(E)-Phenylmethylidene]-2-propanamine #;A836175

Chemical Property of N-Benzylideneisopropylamine

Chemical Property:

• Vapor Pressure: 0.185mmHg at 25°C
• Boiling Point: 218.466°C at 760 mmHg
• Flash Point: 77.423°C
• PSA: 12.36000
• Density: 0.877g/cm³
• LogP: 2.51390
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 147.104799419
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

99% ^*data from raw suppliers

N-BENZYLIDENEISOPROPYLAMINE 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-Benzylideneisopropylamine

There total 21 articles about N-Benzylideneisopropylamine 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%

benzaldehyde (100-52-7) + isopropylamine (75-31-0) → N-benzylideneisopropylamine (6852-56-8)

Guidance literature:

at 20 - 100 ℃; for 0.133333h; microwave irradiation;

DOI:10.1055/s-2006-926429

Reference yield: 94.0%

Benzyl-isopropyl-amin (102-97-6) → N-benzylideneisopropylamine (6852-56-8)

Guidance literature:

With oxygen; In para-xylene; at 110 ℃; for 1.5h;

DOI:10.1039/c4cc00024b

Reference yield: 58.0%

7-Phenyl-6-aza-2,4,6-heptatrienal (19946-76-0) + isopropylamine (75-31-0) → N-benzylideneisopropylamine (6852-56-8) + (2E,4Z)-5-Amino-2,4-pentadienal (79101-68-1) + (E,E)-5-Amino-2,4-pentadienal (79101-67-0)

Guidance literature:

In benzene; at 0 ℃; for 1h; Yields of byproduct given;

upstream raw materials:

benzaldehyde

isopropylamine

benzonitrile

Benzyl-isopropyl-amin

Downstream raw materials:

3-isopropyl-4-oxo-2,6-diphenyl-3,4-dihydro-2H-[1,3]thiazine-5-carbonitrile

3-isopropyl-4-oxo-2,6-diphenyl-3,4-dihydro-2H-[1,3]thiazine-5-carboxylic acid ethyl ester

C₁₂H₁₃ClN₂O₂

3-isopropyl-2-phenyl-6-(2,4,6-trimethyl-phenyl)-2,3-dihydro-[1,3,5]thiadiazin-4-one

Refernces

• 1、 Rej, Supriya,Chatani, Naoto. "Transient imine as a directing group for the metal-free o-C-H borylation of benzaldehydes". supporting information. p. 2920 - 2929. Retrieved 2021/03/01.
• 2、 Gudun, Kristina A.,Hayrapetyan, Davit,Khalimon, Andrey Y.,Segizbayev, Medet,Slamova, Ainur,Zakarina, Raikhan. "Cobalt-Catalyzed Deoxygenative Hydroboration of Nitro Compounds and Applications to One-Pot Synthesis of Aldimines and Amides". . . Retrieved 2021/11/30.