4-(1H-Indol-3-yl)butanamide

Base Information

• Chemical Name: 4-(1H-Indol-3-yl)butanamide
• CAS No.: 6245-91-6
• Molecular Formula: C₁₂H₁₄N₂O
• Molecular Weight: 202.256
• DSSTox Substance ID: DTXSID101314136
• Mol file: 6245-91-6.mol

Synonyms:4-(1H-Indol-3-yl)butanamide;6245-91-6;4-indol-3-ylbutanamide;1H-Indole-3-butanamide;Indole-3-butyramide;ChemDiv2_000996;CBKinase1_000038;CBKinase1_012438;Oprea1_280588;Oprea1_366510;CBDivE_000640;SCHEMBL4092371;DTXSID101314136;HMS1371N06;4-(1H-Indol-3-yl)butanamide #;CCG-20519;STK386821;AKOS000623564;CS-0238098;EN300-189902;AH-357/02166042;BRD-K49183434-001-01-6

Chemical Property of 4-(1H-Indol-3-yl)butanamide

Chemical Property:

• PSA: 58.88000
• LogP: 2.67620
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 202.110613074
• Heavy Atom Count: 15
• Complexity: 230

Purity/Quality:

99% ^*data from raw suppliers

Indole-3-butyramide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CCCC(=O)N
• Uses: Indole-3-butyramide is a reagent being used in the preparation of novel N-aryloxyethylindolylalkylamines towards the discovery of new antidepressants.

Technology Process of 4-(1H-Indol-3-yl)butanamide

There total 6 articles about 4-(1H-Indol-3-yl)butanamide 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: 96.0%

4-indol-3-yl-butyric acid (133-32-4) → 3-indolebutyramide (6245-91-6)

Guidance literature:

4-indol-3-yl-butyric acid; With 1,1'-carbonyldiimidazole; In tetrahydrofuran; at 20 ℃; for 1.5h;

With ammonia; In tetrahydrofuran; at 20 ℃; for 2.5h;

DOI:10.1021/jm0304010

Reference yield: 83.0%

methyl 4-(1H-indol-3-yl)butanoate (15591-70-5) → 3-indolebutyramide (6245-91-6)

Guidance literature:

With ammonia; In methanol; at 20 ℃; for 48h;

DOI:10.1135/cccc20021669

Reference yield: 70.0%

hexahydro-7-methoxy-2-azepinone (63853-81-6) + phenylhydrazine (100-63-0) → 3-indolebutyramide (6245-91-6)

Guidance literature:

zinc(II) chloride; In ethyl acetate; xylene; Heating;

DOI:10.1016/S0040-4039(00)81629-9

upstream raw materials:

hexahydro-7-methoxy-2-azepinone

phenylhydrazine

methyl 4-(1H-indol-3-yl)butanoate

4-indol-3-yl-butyric acid