2-Allylbenzamide

Base Information

Chemical Name:2-Allylbenzamide
CAS No.:61436-87-1
Molecular Formula:C10H11NO
Molecular Weight:161.203
Hs Code.:
DSSTox Substance ID:DTXSID90493149
Nikkaji Number:J469.430I
Wikidata:Q82339639
Mol file:61436-87-1.mol

Synonyms:2-Allylbenzamide;61436-87-1;2-prop-2-enylbenzamide;Benzamide, 2-(2-propenyl)- (9CI);2-(Prop-2-en-1-yl)benzamide;SCHEMBL83923;DTXSID90493149;Benzamide,2-(2-propenyl)-(9ci);AC6473;MFCD18824482;AKOS030576934;SY236857;A914055

Suppliers and Price of 2-Allylbenzamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

AK Scientific
2-Allylbenzamide
1g
$ 937.00

Total 4 raw suppliers

Chemical Property of 2-Allylbenzamide

Chemical Property:

Melting Point:116-118 °C(Solv: ethyl acetate (141-78-6); chloroform (67-66-3))
Boiling Point:289.1±19.0 °C(Predicted)
PKA:15.97±0.50(Predicted)
PSA：44.08000
Density:1.056±0.06 g/cm3(Predicted)
LogP:2.39820
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:161.084063974
Heavy Atom Count:12
Complexity:177

Purity/Quality:

97% ^*data from raw suppliers

2-Allylbenzamide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=CCC1=CC=CC=C1C(=O)N

Technology Process of 2-Allylbenzamide

There total 7 articles about 2-Allylbenzamide 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:

: 66657-85-0
2-allylbenzoyl chloride

: 61436-87-1
2-allyl-benzamide

Guidance literature:: With ammonia; In water; toluene; at -78 - 20 ℃;
DOI:10.1039/b804081h

Reference yield:

: 61436-73-5
2-allylbenzoic acid

: 61436-87-1
2-allyl-benzamide

Guidance literature:: 2-allylbenzoic acid; With thionyl chloride; In chloroform; at 70 ℃; for 2h; Inert atmosphere; Schlenk technique;

With ammonium hydroxide; Inert atmosphere; Schlenk technique;
DOI:10.1039/c8ob02560f

Reference yield:

: 10283-95-1
N-allylbenzamide

: 61436-87-1
2-allyl-benzamide

Guidance literature:: Multi-step reaction with 2 steps

1: 91 percent / LDA / tetrahydrofuran; hexane / -70 deg C, 10 min, then to 0 deg C

2: 1.) sec-butyllithium / 1.) THF, cyclohexane -70 deg C, 10 min, 2.) THF, to 0 deg C

With sec.-butyllithium; lithium diisopropyl amide; In tetrahydrofuran; hexane;
DOI:10.1021/jo00035a030