1,5-Diisocyanatopentane

Base Information

• Chemical Name: 1,5-Diisocyanatopentane
• CAS No.: 4538-42-5
• Molecular Formula: C7H10N2O2
• Molecular Weight: 154.169
• European Community (EC) Number: 807-040-5
• DSSTox Substance ID: DTXSID501031491
• Nikkaji Number: J803.906B
• Mol file: 4538-42-5.mol

Synonyms:1,5-diisocyanatopentane;4538-42-5;Pentane, 1,5-diisocyanato-;1,5-pentane diisocyanate;pentamethylene diisocyanate;pentamethylen-diisocyanat;1,5-diisocyanato-pentane;SCHEMBL43799;SCHEMBL10589459;DTXSID501031491;GEO-03739;AKOS040768457;GS-0680;NS00128612

Chemical Property of 1,5-Diisocyanatopentane

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 154.074227566
• Heavy Atom Count: 11
• Complexity: 159

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCN=C=O)CCN=C=O

Technology Process of 1,5-Diisocyanatopentane

There total 17 articles about 1,5-Diisocyanatopentane 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: 94.0%

bis(butoxycarbonylamino)pentane (1138160-85-6) → 1,5-diisocyanatopentane (4538-42-5)

Guidance literature:

With Duranate TPA-100; In toluene; at 160 - 250 ℃; for 200h; under 6000.6 Torr; Solvent; Inert atmosphere;

Reference yield: 91.8%

1,5-diaminopentane (462-94-2) + bis(trichloromethyl) carbonate (32315-10-9) → 1,5-diisocyanatopentane (4538-42-5)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 10 ℃; for 4h; Solvent; Temperature; Inert atmosphere;

Reference yield: 91.46%

phosgene (75-44-5) + 1,5-diaminopentane (462-94-2) + carbon dioxide (124-38-9,18923-20-1) → 1,5-diisocyanatopentane (4538-42-5)

Guidance literature:

With activated carbon; In chlorobenzene; at 25 - 135 ℃; for 1h; Solvent; Reagent/catalyst; Large scale;

upstream raw materials:

1,5-diiodopentane

silver cyanate

heptanedioyl azide

N,N’-(pentane-1,5-diyl)diformamide

Downstream raw materials:

C₄₁H₇₂N₈O₄

urea

N,N'-bis-(aziridine-1-carbonyl)-pentanediyldiamine

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