5-Carboxy-2,3,3-triMethyl-1-(4-sulfobutyl)-3H-indoliuM

Base Information

• Chemical Name: 5-Carboxy-2,3,3-triMethyl-1-(4-sulfobutyl)-3H-indoliuM
• CAS No.: 852818-04-3
• Molecular Formula: C₁₆H₂₁NO₅S
• Molecular Weight: 339.412
• Mol file: 852818-04-3.mol

Synonyms:5-Carboxy-1-(4-sulfobutyl)-2,3,3-triMethyl-3H-indoliuM;5-Carboxy-2,3,3-triMethyl-1-(4-sulfobutyl)-3H-indoliuM

Chemical Property of 5-Carboxy-2,3,3-triMethyl-1-(4-sulfobutyl)-3H-indoliuM

Chemical Property:

• PSA: 105.89000
• LogP: 3.14590
• Solubility.: Methanol

Purity/Quality:

99% ^*data from raw suppliers

5-Carboxy-1-(4-sulfobutyl)-2,3,3-trimethyl-3H-indolium ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-Carboxy-2,3,3-triMethyl-1-(4-sulfobutyl)-3H-indoliuM

There total 5 articles about 5-Carboxy-2,3,3-triMethyl-1-(4-sulfobutyl)-3H-indoliuM 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: 93.0%

1,4-butane sultone (1633-83-6) + 2,3,3-trimethyl-5-carboxy-3H-indole (84100-84-5) → 5-carboxy-1-(δ-sulfobutyl)-2,3,3-trimethyl-3H-indolium betaine (852818-04-3)

Guidance literature:

In 1,2-dichloro-benzene; at 180 ℃; for 9h; Inert atmosphere;

Reference yield:

3-methyl-butan-2-one (563-80-4) → 5-carboxy-1-(δ-sulfobutyl)-2,3,3-trimethyl-3H-indolium betaine (852818-04-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium acetate; acetic acid / Reflux; Inert atmosphere

2: 1,2-dichloro-benzene / Reflux; Inert atmosphere

With sodium acetate; acetic acid; In 1,2-dichloro-benzene;

DOI:10.1016/j.dyepig.2010.08.008

Reference yield:

4-Hydrazinobenzoic acid (619-67-0) → 5-carboxy-1-(δ-sulfobutyl)-2,3,3-trimethyl-3H-indolium betaine (852818-04-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium acetate; acetic acid / Reflux; Inert atmosphere

2: 1,2-dichloro-benzene / Reflux; Inert atmosphere

With sodium acetate; acetic acid; In 1,2-dichloro-benzene;

DOI:10.1016/j.dyepig.2010.08.008

upstream raw materials:

3-methyl-butan-2-one

1,4-butane sultone

2,3,3-trimethyl-5-carboxy-3H-indole

4-Hydrazinobenzoic acid