1-Benzyl-2-methyl-1H-indole-3-carbaldehyde

Base Information

Chemical Name:1-Benzyl-2-methyl-1H-indole-3-carbaldehyde
CAS No.:95202-45-2
Molecular Formula:C17H15NO
Molecular Weight:249.312
Hs Code.:2933990090
DSSTox Substance ID:DTXSID60385360
Wikidata:Q82178095
ChEMBL ID:CHEMBL1570618
Mol file:95202-45-2.mol

Synonyms:1-Benzyl-2-methyl-1H-indole-3-carbaldehyde;95202-45-2;1-benzyl-2-methylindole-3-carbaldehyde;1H-Indole-3-carboxaldehyde, 2-methyl-1-(phenylmethyl)-;ASISCHEM R42031;MLS001207240;CHEMBL1570618;SCHEMBL10624841;DTXSID60385360;HMS2845F24;BBL023757;MFCD00433509;STK080667;AKOS000100206;SMR000516893;VS-07505;BB 0217317;CS-0241076;EN300-231293;Z57355901

Suppliers and Price of 1-Benzyl-2-methyl-1H-indole-3-carbaldehyde

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

Crysdot
1-Benzyl-2-methyl-1H-indole-3-carbaldehyde 97%
10g
$ 401.00

Chemenu
1-Benzyl-2-methyl-1H-indole-3-carbaldehyde 95%+
10g
$ 379.00

American Custom Chemicals Corporation
1-BENZYL-2-METHYL-1H-INDOLE-3-CARBALDEHYDE 95.00%
5MG
$ 498.16

Total 6 raw suppliers

Chemical Property of 1-Benzyl-2-methyl-1H-indole-3-carbaldehyde

Chemical Property:

Vapor Pressure:2.23E-08mmHg at 25°C
Melting Point:135 °C(Solv: ethanol (64-17-5))
Boiling Point:452.5oC at 760 mmHg
Flash Point:227.5oC
PSA：22.00000
Density:1.09g/cm3
LogP:3.81050
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:249.115364102
Heavy Atom Count:19
Complexity:310

Purity/Quality:

99% ^*data from raw suppliers

1-Benzyl-2-methyl-1H-indole-3-carbaldehyde 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)C=O

Technology Process of 1-Benzyl-2-methyl-1H-indole-3-carbaldehyde

There total 3 articles about 1-Benzyl-2-methyl-1H-indole-3-carbaldehyde 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:

: 95-20-5
2-methyl-1H-indole

: 95202-45-2
1-benzyl-2-methyl 1H-indole-3-carboxyaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1.1: trichlorophosphate / 2.5 h / Cooling with ice

1.2: 3 h / 5 °C

1.3: 1 h / Cooling with ice; Reflux

2.1: potassium carbonate / acetone / 24 h / Reflux

With potassium carbonate; trichlorophosphate; In acetone; 1.1: Vilsmeier-Haack reaction / 1.2: Vilsmeier-Haack reaction;
DOI:10.1016/j.bmc.2012.01.031

Reference yield:

: 5416-80-8
2-methyl-1H-indole-3-carbaldehyde

: 95202-45-2
1-benzyl-2-methyl 1H-indole-3-carboxyaldehyde

Guidance literature:: With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 20 ℃;
DOI:10.1039/c9cc08372c

Reference yield:

: 95-20-5
2-methyl-1H-indole

: 95202-45-2
1-benzyl-2-methyl 1H-indole-3-carboxyaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: 96 percent / POCl₃

2: 67 percent / K₂CO₃ / acetone / 24 h / Heating

With potassium carbonate; trichlorophosphate; In acetone;