Methyl (3R)-(-)-3-(1-methylindol-3-yl)butanoate

Base Information

Chemical Name:Methyl (3R)-(-)-3-(1-methylindol-3-yl)butanoate
CAS No.:460050-72-0
Molecular Formula:C₁₄H₁₇NO₂
Molecular Weight:231.294
Hs Code.:
European Community (EC) Number:693-416-2
DSSTox Substance ID:DTXSID50584385
Nikkaji Number:J2.428.754H
Wikidata:Q82476039
Mol file:460050-72-0.mol

Synonyms:Methyl (3R)-(-)-3-(1-methylindol-3-yl)butanoate;460050-72-0;METHYL (3R)-3-(1-METHYLINDOL-3-YL)BUTANOATE;DTXSID50584385;Methyl (R)-3-(1-methyl-1H-indol-3-yl)butanoate;Methyl (3R)-3-(1-methyl-1H-indol-3-yl)butanoate;Methyl (3R)-(-)-3-(1-methylindol-3-yl)butanoate, 98%, optical purity ee: 97% (HPLC)

Suppliers and Price of Methyl (3R)-(-)-3-(1-methylindol-3-yl)butanoate

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

Sigma-Aldrich
Methyl (3R)-(?)-3-(1-methylindol-3-yl)butanoate 98%, optical purity ee: 97% (HPLC)
1g
$ 834.00

American Custom Chemicals Corporation
Methyl (3R)-(?)-3-(1-methylindol-3-yl)butanoate 95.00%
5MG
$ 495.75

Total 1 raw suppliers

Chemical Property of Methyl (3R)-(-)-3-(1-methylindol-3-yl)butanoate

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:231.125928785
Heavy Atom Count:17
Complexity:279

Purity/Quality:

98%Min ^*data from raw suppliers

Methyl (3R)-(?)-3-(1-methylindol-3-yl)butanoate 98%, optical purity ee: 97% (HPLC) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 22-37/38-41-42/43
Safety Statements: 26-36

MSDS Files:

Useful:

Canonical SMILES:CC(CC(=O)OC)C1=CN(C2=CC=CC=C21)C
Isomeric SMILES:C[C@H](CC(=O)OC)C1=CN(C2=CC=CC=C21)C

Technology Process of Methyl (3R)-(-)-3-(1-methylindol-3-yl)butanoate

There total 10 articles about Methyl (3R)-(-)-3-(1-methylindol-3-yl)butanoate 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%

: 67-56-1
methanol

: 603-76-9
1-methylindole

: 26583-97-1
(2E-but-2-enoyl)-phosphonic acid dimethyl ester

: 460050-73-1,460050-72-0
(S)-3-(1-methyl-1H-indol-3-yl)-butyric acid methyl ester

Guidance literature:: 1-methylindole; (2E-but-2-enoyl)-phosphonic acid dimethyl ester; Sc(III)-(S)-Inda-Pybox(OTf)3; In dichloromethane; at -78 - 20 ℃; for 4h;

methanol; With 1,8-diazabicyclo[5.4.0]undec-7-ene; Further stages.;
DOI:10.1021/ja072976i

Reference yield: 40.0%

: 67-56-1
methanol

: 603-76-9
1-methylindole

: 98549-73-6
dimethyl crotonylphosphonate

: 460050-73-1,460050-72-0
(S)-3-(1-methyl-1H-indol-3-yl)-butyric acid methyl ester

Guidance literature:: dimethyl crotonylphosphonate; With (S)-N-(2-((1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino-3,4-dioxocyclobut-1-en-1-yl)-2-methylpropane-2-sulfinamide; In chloroform; at -20 ℃; for 0.166667h; Molecular sieve;

1-methylindole; In chloroform; for 72h; Molecular sieve;

methanol; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In chloroform; for 0.5h; Molecular sieve;
DOI:10.1021/acs.orglett.7b00727

Reference yield:

: 67-56-1
methanol

: 603-76-9
1-methylindole

: 26583-97-1
(2E-but-2-enoyl)-phosphonic acid dimethyl ester

: 460050-72-0
(R)-methyl-3-(1-methyl-1H-indol-3-yl)butanoate

: 460050-73-1,460050-72-0
(S)-3-(1-methyl-1H-indol-3-yl)-butyric acid methyl ester

Guidance literature:: 1-methylindole; (2E-but-2-enoyl)-phosphonic acid dimethyl ester; (TBOx)AlSbF₆; In dichloromethane; at -45 ℃; for 12h;

methanol; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at -45 - 20 ℃; Title compound not separated from byproducts;
DOI:10.1021/ja0668320