Spermic acid 2

Base Information

• Chemical Name: Spermic acid 2
• CAS No.: 14209-33-7
• Molecular Formula: C₁₀H₂₀N₂O₄
• Molecular Weight: 232.28
• DSSTox Substance ID: DTXSID501317875
• Nikkaji Number: J396.365I
• Metabolomics Workbench ID: 42201
• ChEMBL ID: CHEMBL2010404
• Mol file: 14209-33-7.mol

Synonyms:N,N'-bis(2-carboxyethyl)-1,4-diaminobutane;spermic acid

Chemical Property of Spermic acid 2

Chemical Property:

• Vapor Pressure: 9.71E-10mmHg at 25°C
• Boiling Point: 460°Cat760mmHg
• Flash Point: 232°C
• PSA: 98.66000
• Density: 1.158g/cm³
• LogP: 0.67700
• XLogP3: -5.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 232.14230712
• Heavy Atom Count: 16
• Complexity: 187

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCNCCC(=O)O)CNCCC(=O)O

Technology Process of Spermic acid 2

There total 1 articles about Spermic acid 2 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:

3-(4-[(2-cyanoethyl)amino]butylamino)propanenitrile (14209-32-6) → 3-[4-(2-Carboxy-ethylamino)-butylamino]-propionic acid (14209-33-7)

Guidance literature:

With hydrogenchloride;

DOI:10.1016/S0040-4039(00)86862-8

Reference yield:

3-[4-(2-Carboxy-ethylamino)-butylamino]-propionic acid (14209-33-7) → C34H52N2O10S2 (82359-87-3)

Guidance literature:

Multi-step reaction with 4 steps

1: HCl

2: LiAlH₄ / tetrahydrofuran / Heating

3: 91 percent / Et₃N

4: 41 percent / pyridine

With hydrogenchloride; lithium aluminium tetrahydride; triethylamine; In tetrahydrofuran; pyridine;

DOI:10.1016/S0040-4039(00)86862-8

upstream raw materials:

3-(4-[(2-cyanoethyl)amino]butylamino)propanenitrile

Downstream raw materials:

C₃₄H₅₂N₂O₁₀S₂

Refernces