3,3'-Iminodipropionic acid

Base Information

• Chemical Name: 3,3'-Iminodipropionic acid
• CAS No.: 505-47-5
• Molecular Formula: C6H11 N O4
• Molecular Weight: 161.158
• Hs Code.: 2922499990
• European Community (EC) Number: 208-009-3
• NSC Number: 41820
• DSSTox Substance ID: DTXSID60198518
• Nikkaji Number: J27.962E
• Wikidata: Q83071281
• Mol file: 505-47-5.mol

Synonyms:505-47-5;3,3'-Iminodipropionic acid;3,3'-Azanediyldipropanoic acid;3,3-Bis(N,N-dipropanoic acid);3-(2-carboxyethylamino)propanoic acid;3-(2-Carboxy-ethylamino)-propionic acid;N-(2-Carboxyethyl)-beta-alanine;3-[(2-CARBOXYETHYL)AMINO]PROPANOIC ACID;EINECS 208-009-3;IMINODIPROPIONIC ACID;3,3'-Azanediyldipropanoicacid;SCHEMBL109879;3,3'-Azanediyldipropionic acid;DTXSID60198518;NSC41820;MFCD01311684;NSC 41820;NSC-41820;AKOS006345949;AS-60223;BP-28085;CS-0135796;FT-0656025;I0823;T72534

Chemical Property of 3,3'-Iminodipropionic acid

Chemical Property:

• Vapor Pressure: 2.59E-07mmHg at 25°C
• Melting Point: 235-236 °C (decomp)
• Boiling Point: 394.2°Cat760mmHg
• PKA: 3.31±0.12(Predicted)
• Flash Point: 192.2°C
• PSA: 86.63000
• Density: 1.282g/cm³
• LogP: -0.08370
• Storage Temp.: 0-10°C
• Solubility.: Methanol (Slightly, Heated, Sonicated), Water (Slightly)
• XLogP3: -3.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 161.06880783
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,3-Bis(N,N-dipropanoicAcid) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CNCCC(=O)O)C(=O)O
• Description: 3,3-Bis(N,N-dipropanoic acid) can be used in preparation of linkers, lipids, and conjugates of cytotoxic agents. The
• Uses: 3,3-Bis(N,N-dipropanoic Acid) is used in preparation of conjugates of cytotoxic agent with cell surface receptor binding molecular useful in treatment of cancer, autoimmune and infectious diseases

Technology Process of 3,3'-Iminodipropionic acid

There total 11 articles about 3,3'-Iminodipropionic 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%

3,3'-Iminodipropionitrile (111-94-4) → di(2-carboxyethyl)amine (505-47-5)

Guidance literature:

With barium hydroxide octahydrate; sulfuric acid; In water; for 8h; Reflux;

DOI:10.1016/j.tet.2013.10.029

Reference yield: 63.0%

N-(2-cyanoethyl)-β-alanine (89600-79-3) → di(2-carboxyethyl)amine (505-47-5)

Guidance literature:

With hydrogenchloride; for 48h; Heating;

DOI:10.1246/bcsj.57.1097

Reference yield: 63.0%

acrylic acid (79-10-7) + 3-amino propanoic acid (107-95-9) → di(2-carboxyethyl)amine (505-47-5)

Guidance literature:

In water; at 140 ℃; for 2h;

upstream raw materials:

3-Bromopropionic acid

3-iodopropanoic acid

3,3'-Iminodipropionitrile

N,N-(2,2'-Dicarboxyethyl)-guanidin

Downstream raw materials:

C₁₇H₂₃N₇O₇S

piperidin-4-one

(G-2)-NBOC

(G-2)-NH

Refernces

• 1、 Fang, Lei,Yu, Jianjun,Liu, Ying,Wang, Anyin,Wang, Limin. "Homogeneous catalysis, heterogeneous recycling: A new family of branched molecules with hydrocarbon or fluorocarbon chains for the Friedl?nder synthesis of quinoline under solvent-free conditions". . p. 11004 - 11009. Retrieved 2014/01/06.
• 2、 -. "PROCESS FOR THE SYNTHESIS OF NA- BETA-ALANINATE AND CALCIUM PANTOTHENATE". Page/Page column 5-6. . Retrieved 2009/03/07.