1,3-Dipropylurea

Base Information

• Chemical Name: 1,3-Dipropylurea
• CAS No.: 623-95-0
• Molecular Formula: C7H16 N2 O
• Molecular Weight: 144.217
• Hs Code.: 2924199090
• European Community (EC) Number: 210-821-8
• DSSTox Substance ID: DTXSID30211369
• Nikkaji Number: J134.761F
• Wikidata: Q72469489
• Mol file: 623-95-0.mol

Synonyms:1,3-Dipropylurea;623-95-0;N,N'-Dipropylurea;Urea, N,N'-dipropyl-;EINECS 210-821-8;MFCD00192114;N,N' Dipropyl urea;n,n'-di-n-propylurea;1,3-di-n-propylurea;1,3-di-n-propyl urea;1,3-DIPROPYL-UREA;N,N'-Dipropylurea, 97%;SCHEMBL319971;AMY853;DTXSID30211369;AKOS008939761;CS-W011006;AS-56787;FT-0632623;EN300-15668;W13743;A833757;Z44609161;Chlorpropamide impurity B, European Pharmacopoeia (EP) Reference Standard

Chemical Property of 1,3-Dipropylurea

Chemical Property:

• Melting Point: 104-106 °C
• Refractive Index: 1.4331 (estimate)
• Boiling Point: 255 °C at 760 mmHg
• PKA: 14.43±0.46(Predicted)
• Flash Point: 122.3 °C
• PSA: 41.13000
• Density: 0.907 g/cm³
• LogP: 1.88740
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 144.126263138
• Heavy Atom Count: 10
• Complexity: 83.6

Purity/Quality:

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

N,N’-Dipropylurea ^*data from reagent suppliers

Safty Information:

• Statements: 52/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCNC(=O)NCCC
• Uses: It is used in the synthesis of symmetrically N,N''-disubstituted aliphatic ureas as intermediates for antitumor drugs. Labelled N,N'-Dipropylurea (D492460). It is used in the synthesis of symmetrically N,N'-disubstituted aliphatic ureas as intermediates for antitumor drug

Technology Process of 1,3-Dipropylurea

There total 28 articles about 1,3-Dipropylurea 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: 97.0%

propylamine (107-10-8,42939-71-9) + Propyl isocyanate (110-78-1) → 1,3-dipropylurea (623-95-0)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1021/acs.jmedchem.0c02067

Reference yield: 97.0%

propylamine (107-10-8,42939-71-9) + carbon monoxide (201230-82-2) → 1,3-dipropylurea (623-95-0)

Guidance literature:

In acetonitrile; for 0.0166667h; under 760 Torr; Heating;

DOI:10.1246/bcsj.77.2237

Reference yield: 90.0%

propylamine (107-10-8,42939-71-9) + carbon monoxide (201230-82-2) → 1,3-dipropylurea (623-95-0)

Guidance literature:

With tungsten hexacarbonyl; iodine; potassium carbonate; In dichloromethane; at 90 ℃; for 18h; under 60804.1 Torr;

DOI:10.1021/jo000364+

upstream raw materials:

propylamine

phosgene

Propyl isocyanate

methylammonium carbonate

Downstream raw materials:

propylamine

6-amino-1,3-dipropyluracil

4-methyl-N-( propylcarbamoyl)benzenesulfonamide

3-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)bicyclo[2.2.2]octan-1-yl)propanoic acid

Refernces

• 1、 Gunasekaran, Pethaiah,Yim, Min Su,Ahn, Mija,Soung, Nak-Kyun,Park, Jung-Eun,Kim, Jaehi,Bang, Geul,Shin, Sang Chul,Choi, Joonhyeok,Kim, Minkyoung,Kim, Hak Nam,Lee, Young-Ho,Chung, Young-Ho,Lee, Kyeong,Eunkyeong Kim, Eunice,Jeon, Young-Ho,Kim, Min Ju,Lee, Kyeong-Ryoon,Kim, Bo-Yeon,Lee, Kyung S.,Ryu, Eun Kyoung,Bang, Jeong Kyu. "Development of a Polo-like Kinase-1 Polo-Box Domain Inhibitor as a Tumor Growth Suppressor in Mice Models". . p. 14905 - 14920. Retrieved 2020/12/02.
• 2、 -. "PROCESS FOR THE CATALYTIC DIRECTED CLEAVAGE OF AMIDE-CONTAINING COMPOUNDS". Page/Page column 60; 61. . Retrieved 2017/04/11.