Indole-d7

Base Information

• Chemical Name: Indole-d7
• CAS No.: 73509-20-3
• Molecular Formula: C₈H₇N
• Molecular Weight: 124.095
• European Community (EC) Number: 635-314-2
• Nikkaji Number: J2.263.765G
• Mol file: 73509-20-3.mol

Synonyms:Indole-d7;73509-20-3;1,2,3,4,5,6,7-heptadeuterioindole;(?H?)-1H-indole;SCHEMBL12978875;HY-W001132S4;CS-0626027;Indole-d7, 98 atom % D, 98% (CP);D99563;A935605

Chemical Property of Indole-d7

Chemical Property:

• Melting Point: 51-54 °C
• PSA: 15.79000
• LogP: 2.16790
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 124.101786449
• Heavy Atom Count: 9
• Complexity: 101

Purity/Quality:

99%min. ^*data from raw suppliers

Indole-d7 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N
• Statements: 21/22-37/38-41-50/53
• Safety Statements: 26-36/37/39-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CN2
• Isomeric SMILES: [2H]C1=C(C(=C2C(=C1[2H])C(=C(N2[2H])[2H])[2H])[2H])[2H]

Technology Process of Indole-d7

There total 1 articles about Indole-d7 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%

indole (120-72-9) → indole-d7 (73509-20-3)

Guidance literature:

platinum(IV) oxide; In water-d2; at 250 ℃; for 4h; under 30002.4 Torr;

DOI:10.3987/COM-05-S(T)36

Reference yield:

indole-d7 (73509-20-3) → C25H21(2)H8N7O3

Guidance literature:

Multi-step reaction with 5 steps

1.1: sodium hydride / tetrahydrofuran; mineral oil / 0.5 h / 0 °C / Inert atmosphere

1.2: 3 h / 20 °C

2.1: aluminum (III) chloride / 1,2-dimethoxyethane / 0.17 h / 20 °C / Inert atmosphere

2.2: 2 h / 80 °C

3.1: toluene-4-sulfonic acid / 5 h / 100 °C / Inert atmosphere

4.1: potassium carbonate / acetonitrile / 8 h / 100 °C / Inert atmosphere

5.1: ammonium chloride; zinc / water; acetone / 0.17 h / 0 °C

With aluminum (III) chloride; sodium hydride; potassium carbonate; ammonium chloride; toluene-4-sulfonic acid; zinc; In tetrahydrofuran; 1,2-dimethoxyethane; water; acetone; acetonitrile; mineral oil;

Reference yield:

indole-d7 (73509-20-3) → N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-({4-[1-(2H3)methyl(2,4,5,6,7-2H5)-1H-indol-3-yl]pyrimidin-2-yl}amino)phenyl)(2H3)prop-2-enamide

Guidance literature:

Multi-step reaction with 6 steps

1.1: sodium hydride / tetrahydrofuran; mineral oil / 0.5 h / 0 °C / Inert atmosphere

1.2: 3 h / 20 °C

2.1: aluminum (III) chloride / 1,2-dimethoxyethane / 0.17 h / 20 °C / Inert atmosphere

2.2: 2 h / 80 °C

3.1: toluene-4-sulfonic acid / 5 h / 100 °C / Inert atmosphere

4.1: potassium carbonate / acetonitrile / 8 h / 100 °C / Inert atmosphere

5.1: ammonium chloride; zinc / water; acetone / 0.17 h / 0 °C

6.1: tetrahydrofuran; water / 0.25 h / 0 - 20 °C

6.2: 5 h / 60 °C

With aluminum (III) chloride; sodium hydride; potassium carbonate; ammonium chloride; toluene-4-sulfonic acid; zinc; In tetrahydrofuran; 1,2-dimethoxyethane; water; acetone; acetonitrile; mineral oil;

upstream raw materials:

indole

Refernces

• 1、 Matsubara, Seijiro,Asano, Keisuke,Kajita, Yuichi,Yamamoto, Mitsuru. "C-H bond activation by water on a palladium or platinum metal surface". . p. 2055 - 2059. Retrieved 2008/02/12.
• 2、 Esaki, Hiroyoshi,Ito, Nobuhiro,Sakai, Shino,Maegawa, Tomohiro,Monguchi, Yasunari,Sajiki, Hironao. "General method of obtaining deuterium-labeled heterocyclic compounds using neutral D2O with heterogeneous Pd/C". . p. 10954 - 10961. Retrieved 2007/10/03.