3,3'-(Tosylazanediyl)dipropanoic acid

Base Information

• Chemical Name: 3,3'-(Tosylazanediyl)dipropanoic acid
• CAS No.: 5446-58-2
• Molecular Formula: C13H17 N O6 S
• Molecular Weight: 315.347
• Hs Code.: 2935009090
• European Community (EC) Number: 226-660-1
• NSC Number: 17334
• DSSTox Substance ID: DTXSID701198693
• Nikkaji Number: J210.489J
• Mol file: 5446-58-2.mol

Synonyms:5446-58-2;3,3'-(Tosylazanediyl)dipropanoic acid;N-p-Toluenesulfonylimino-3,3'-dipropionic acid;3-[2-carboxyethyl-(4-methylphenyl)sulfonylamino]propanoic acid;N-(2-Carboxyethyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine;NSC17334;SCHEMBL13589964;DTXSID701198693;EINECS 226-660-1;MFCD00045941;NSC 17334;NSC-17334;3,3'-(Tosylazanediyl)dipropanoicacid;AKOS024371056;SB83047;AS-63452;FT-0635718;D97802;3-[N-(2-carboxyethyl)4-methylbenzenesulfonamido]propanoic acid;N-(2-Carboxyethyl)-N-((4-methylphenyl)sulphonyl)-beta-alanine

Chemical Property of 3,3'-(Tosylazanediyl)dipropanoic acid

Chemical Property:

• Melting Point: 170-173°C
• Boiling Point: 562.9°Cat760mmHg
• Flash Point: 294.2°C
• PSA: 120.36000
• Density: 1.392g/cm³
• LogP: 2.01590
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 315.07765844
• Heavy Atom Count: 21
• Complexity: 444

Purity/Quality:

99% ^*data from raw suppliers

N-PARA-TOLUENESULFONYLIMINO-3,3'-DIPROPIONIC ACID 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)O)CCC(=O)O

Technology Process of 3,3'-(Tosylazanediyl)dipropanoic acid

There total 7 articles about 3,3'-(Tosylazanediyl)dipropanoic acid 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: 95.0%

N,N-bis[(2-cyanoethyl)]-4-methylbenzenesulfonamide (2619-16-1) → 3,3'-iminodipropanoic acid tosylamide (5446-58-2)

Guidance literature:

With hydrogenchloride; In water; for 2h; Heating;

Reference yield: 31.0%

3,3'-imino-di-propionic acid diethyl ester (3518-88-5) + p-toluenesulfonyl chloride (98-59-9) → 3,3'-iminodipropanoic acid tosylamide (5446-58-2)

Guidance literature:

With sodium hydroxide; 1.) 1h, 2.) 1h, reflux;

DOI:10.1016/S0040-4020(01)81503-9

Reference yield:

C25H35B2NO6S → 3,3'-iminodipropanoic acid tosylamide (5446-58-2)

Guidance literature:

With oxone||potassium monopersulfate triple salt; water; In acetone; at 50 ℃; for 12h; Inert atmosphere;

DOI:10.1002/anie.202000988

upstream raw materials:

N,N-bis[(2-cyanoethyl)]-4-methylbenzenesulfonamide

3,3'-imino-di-propionic acid diethyl ester

p-toluenesulfonyl chloride

3,3'-Iminodipropionitrile

Downstream raw materials:

N-tosyl-bis(3-hydroxypropyl)amine

3-propyl tosylate

1,5,9-triazacyclododecane trihydrobromide

1,5,9-triazacyclododecane