methyl 3-amino-1-cyano-1-phenyl-1H-indene-2-carboxylate

Base Information

Chemical Name:methyl 3-amino-1-cyano-1-phenyl-1H-indene-2-carboxylate
CAS No.:116617-18-6
Molecular Formula:C18H14 N2 O2
Molecular Weight:290.32
Hs Code.:2926909090
DSSTox Substance ID:DTXSID90377470
Nikkaji Number:J331.614I
ChEMBL ID:CHEMBL1572633
Mol file:116617-18-6.mol

Synonyms:116617-18-6;methyl 3-amino-1-cyano-1-phenyl-1H-indene-2-carboxylate;methyl 3-amino-1-cyano-1-phenylindene-2-carboxylate;SMR000125440;MLS000539982;METHYL3-AMINO-1-CYANO-1-PHENYL-1H-INDENE-2-CARBOXYLATE;Oprea1_288591;CHEMBL1572633;BDBM61435;cid_2764499;DTXSID90377470;KFLDWHRPRZSDAU-UHFFFAOYSA-N;HMS2166O20;HMS3309M01;MFCD00232278;AKOS015905913;SB82520;9K-031;MLS-0079893.0001;methyl 3-azanyl-1-cyano-1-phenyl-indene-2-carboxylate;3-amino-1-cyano-1-phenyl-2-indenecarboxylic acid methyl ester;3-amino-1-cyano-1-phenyl-indene-2-carboxylic acid methyl ester;3-Amino-1-cyano-1-(phenyl)-1H-indene-2-carboxylic acid methyl ester

Suppliers and Price of methyl 3-amino-1-cyano-1-phenyl-1H-indene-2-carboxylate

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

American Custom Chemicals Corporation
METHYL 3-AMINO-1-CYANO-1-PHENYL-1H-INDENE-2-CARBOXYLATE 95.00%
10MG
$ 675.51

American Custom Chemicals Corporation
METHYL 3-AMINO-1-CYANO-1-PHENYL-1H-INDENE-2-CARBOXYLATE 95.00%
5MG
$ 667.02

American Custom Chemicals Corporation
METHYL 3-AMINO-1-CYANO-1-PHENYL-1H-INDENE-2-CARBOXYLATE 95.00%
1MG
$ 628.20

Total 3 raw suppliers

Chemical Property of methyl 3-amino-1-cyano-1-phenyl-1H-indene-2-carboxylate

Chemical Property:

Vapor Pressure:5.66E-11mmHg at 25°C
Melting Point:195-197°C
Refractive Index:1.656
Boiling Point:521.5°Cat760mmHg
Flash Point:269.2°C
PSA：76.11000
Density:1.3g/cm³
LogP:3.05298
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:290.105527694
Heavy Atom Count:22
Complexity:539

Purity/Quality:

97% ^*data from raw suppliers

METHYL 3-AMINO-1-CYANO-1-PHENYL-1H-INDENE-2-CARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=C(C2=CC=CC=C2C1(C#N)C3=CC=CC=C3)N

Technology Process of methyl 3-amino-1-cyano-1-phenyl-1H-indene-2-carboxylate

There total 2 articles about methyl 3-amino-1-cyano-1-phenyl-1H-indene-2-carboxylate 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: 92.0%

: 127667-03-2
2-(cyano(phenyl)methyl)benzonitrile

: 96-34-4
methyl chloroacetate

: 116617-18-6
1-amino-2-(methoxycarbonyl)-3-cyano-3-phenyl-1H-indene

Guidance literature:: With potassium tert-butylate; In N,N-dimethyl-formamide; for 3h;
DOI:10.1021/jo00303a012

Reference yield:

: 873-32-5
2-Chlorobenzonitrile

: 140-29-4
phenylacetonitrile

: 96-34-4
methyl chloroacetate

: 116617-18-6
1-amino-2-(methoxycarbonyl)-3-cyano-3-phenyl-1H-indene

Guidance literature:: multistep reaction: one pot alkylation and cyclization; reaction with other o-halogen substituted cyanoaromatics or other halogen esters;
DOI:10.1021/jo00303a012

Reference yield:

: 116617-18-6
1-amino-2-(methoxycarbonyl)-3-cyano-3-phenyl-1H-indene

: 16618-72-7
3-phenyl-1-indanone

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) acetic acid, 2.) 60 percent aq. H₂SO₄ / 1.) 100 deg C, 2.) 110 deg C, 6 h

2: N-methylpyrrolidone / 1 h / 100 °C

With 1-methyl-pyrrolidin-2-one; sulfuric acid; acetic acid;
DOI:10.1021/jo00303a012