4-(Allylamino)benzonitrile

Base Information

• Chemical Name: 4-(Allylamino)benzonitrile
• CAS No.: 10282-33-4
• Molecular Formula: C10H10 N2
• Molecular Weight: 158.203
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID80450367
• Nikkaji Number: J1.195.995D
• Wikidata: Q82270047
• Mol file: 10282-33-4.mol

Synonyms:4-(allylamino)benzonitrile;10282-33-4;4-(prop-2-enylamino)benzonitrile;4-ALLYLAMINO-BENZONITRILE;SCHEMBL11300462;4-(Allylamino)benzenecarbonitrile;DTXSID80450367;CEFYXGLOSWZHDA-UHFFFAOYSA-N;AKOS000221980;4-[(Prop-2-en-1-yl)amino]benzonitrile

Chemical Property of 4-(Allylamino)benzonitrile

Chemical Property:

• PSA: 35.82000
• LogP: 2.22918
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 158.084398327
• Heavy Atom Count: 12
• Complexity: 181

Purity/Quality:

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

4-ALLYLAMINO-BENZONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCNC1=CC=C(C=C1)C#N

Technology Process of 4-(Allylamino)benzonitrile

There total 7 articles about 4-(Allylamino)benzonitrile 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: 99.0%

allyl alcohol (107-18-6) + 4-Aminobenzonitrile (873-74-5) → 4-cyano-N-(prop-2-enyl)benzenamine (10282-33-4)

Guidance literature:

With titanium(IV) isopropylate; MS 4 Angstroem; palladium diacetate; triphenylphosphine; In benzene; at 80 ℃; for 3h;

DOI:10.1016/S0040-4039(00)01171-0

Reference yield: 96.0%

4-bromobenzenecarbonitrile (623-00-7) + 1-amino-2-propene (107-11-9,30551-89-4) → 4-cyano-N-(prop-2-enyl)benzenamine (10282-33-4)

Guidance literature:

With potassium phosphate; copper(l) iodide; L-proline; In dimethyl sulfoxide; at 80 ℃; for 39h;

DOI:10.1021/jo0504464

Reference yield: 62.0%

4-Cyanochlorobenzene (623-03-0) + 1-amino-2-propene (107-11-9,30551-89-4) → 4-cyano-N-(prop-2-enyl)benzenamine (10282-33-4)

Guidance literature:

With C₄₅H₄₇ClN₂NiP₂; sodium t-butanolate; In toluene; at 25 ℃; for 16h; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1021/acscatal.8b01005

upstream raw materials:

allyl bromide

4-Aminobenzonitrile

allyl alcohol

4-bromobenzenecarbonitrile

Downstream raw materials:

4-pyrrolidin-1-yl-benzonitrile

2-allyl-4-cyano-phenylamine

4-allylamino-benzaldehyde

N-(2-allyl-4-cyano-phenyl)-4-methyl-benzenesulfonamide