(R)-Methyl 3-(1-methyl-1H-indol-3-yl)-3-phenylpropanoate

Base Information

• Chemical Name: (R)-Methyl 3-(1-methyl-1H-indol-3-yl)-3-phenylpropanoate
• CAS No.: 429689-16-7
• Molecular Formula: C19H19NO2
• Molecular Weight: 293.36
• European Community (EC) Number: 636-966-0
• Nikkaji Number: J1.949.535C

Synonyms:429689-18-9;(R)-Methyl 3-(1-methyl-1H-indol-3-yl)-3-phenylpropanoate;(R)-METHYL-3-(1-METHYL-1H-INDOL-3-YL)-PHENYL-PROPIONATE;methyl (3R)-3-(1-methylindol-3-yl)-3-phenylpropanoate;429689-16-7;methyl (3R)-3-(1-methyl-1H-indol-3-yl)-3-phenylpropanoate;METHYL (3R)-(-)-3-(METHYL-1H-INDOL-3-YL)-3-PHENYLPROPANOATE;1H-Indole-3-propanoicacid,1-methyl-b-phenyl-,methyl ester,(br)-

Chemical Property of (R)-Methyl 3-(1-methyl-1H-indol-3-yl)-3-phenylpropanoate

Chemical Property:

• Melting Point: 89-93 °C(lit.)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 293.141578849
• Heavy Atom Count: 22
• Complexity: 378

Purity/Quality:

METHYL (3R) Aldrich ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 36-42/43
• Safety Statements: 26-36

MSDS Files:

Useful:

• Canonical SMILES: CN1C=C(C2=CC=CC=C21)C(CC(=O)OC)C3=CC=CC=C3
• Isomeric SMILES: CN1C=C(C2=CC=CC=C21)[C@H](CC(=O)OC)C3=CC=CC=C3

Technology Process of (R)-Methyl 3-(1-methyl-1H-indol-3-yl)-3-phenylpropanoate

There total 3 articles about (R)-Methyl 3-(1-methyl-1H-indol-3-yl)-3-phenylpropanoate 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:

methanol (67-56-1) + 1-methylindole (603-76-9) + (2E-3-phenyl-prop-2-enonyl)-phosphonic acid dimethyl ester (149794-30-9) → (R)-3-(1-methyl-1H-indol-3-yl)-3-phenyl-propionic acid methyl ester (429689-16-7,429689-17-8,429689-18-9) + (S)-3-(1-methyl-1H-indol-3-yl)-3-phenyl-propionic acid methyl ester (429689-16-7,429689-17-8,429689-18-9)

Guidance literature:

1-methylindole; (2E-3-phenyl-prop-2-enonyl)-phosphonic acid dimethyl ester; With (S,S)-IndaPybox*Sc(OTf)3; In dichloromethane; at -78 ℃; for 48h;

methanol; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 20 ℃; for 0.5h; Title compound not separated from byproducts;

DOI:10.1021/ja036985c

Reference yield:

methanol (67-56-1) + 1-methylindole (603-76-9) + (2E-3-phenyl-prop-2-enonyl)-phosphonic acid dimethyl ester (149794-30-9) → (R)-3-(1-methyl-1H-indol-3-yl)-3-phenyl-propionic acid methyl ester (429689-16-7,429689-17-8,429689-18-9) + (S)-3-(1-methyl-1H-indol-3-yl)-3-phenyl-propionic acid methyl ester (429689-16-7,429689-17-8,429689-18-9)

Guidance literature:

1-methylindole; (2E-3-phenyl-prop-2-enonyl)-phosphonic acid dimethyl ester; With (S,S)-IndaPybox*Sc(OTf)3; In dichloromethane; at -78 ℃; for 48h;

methanol; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 20 ℃; for 0.5h; Title compound not separated from byproducts;

DOI:10.1021/ja036985c

Reference yield:

dimethyl [(E)-1-hydroxy-3-phenyl-2-propenyl]phosphonate (149794-31-0) → (R)-3-(1-methyl-1H-indol-3-yl)-3-phenyl-propionic acid methyl ester (429689-16-7,429689-17-8,429689-18-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 71 percent / CrO₂ / acetonitrile / 2.5 h / Heating

2.1: (S,S)-IndaPybox*Sc(OTf)3 / CH₂Cl₂ / 48 h / -78 °C

2.2: DBU / CH₂Cl₂ / 0.5 h / 20 °C

With chromium (VI) oxide; (S,S)-IndaPybox*Sc(OTf)3; In dichloromethane; acetonitrile; 2.1: Friedel-Crafts alkylation;

DOI:10.1021/ja036985c

upstream raw materials:

methanol

1-methylindole

(2E-3-phenyl-prop-2-enonyl)-phosphonic acid dimethyl ester

dimethyl [(E)-1-hydroxy-3-phenyl-2-propenyl]phosphonate

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