Neopentyl glycol dinitrate

Base Information

• Chemical Name: Neopentyl glycol dinitrate
• CAS No.: 26482-65-5
• Molecular Formula: C5H10 N2 O6
• Molecular Weight: 194.144
• Hs Code.: 2920909090
• DSSTox Substance ID: DTXSID20885351
• Wikidata: Q82863971
• Mol file: 26482-65-5.mol

Synonyms:Neopentyl glycol dinitrate;26482-65-5;1,3-Propanediol, 2,2-dimethyl-, dinitrate;Dimethylolpropane dinitrate;1,3-Propanediol, 2,2-dimethyl-, 1,3-dinitrate;SCHEMBL9803543;C5H10N2O6;DTXSID20885351;C5-H10-N2-O6;2,2-Dimethyl-1,3-propanediol, dinitrate

Chemical Property of Neopentyl glycol dinitrate

Chemical Property:

• Vapor Pressure: 0.036mmHg at 25°C
• Boiling Point: 249.6°Cat760mmHg
• Flash Point: 109.7°C
• PSA: 110.10000
• Density: 1.299g/cm³
• LogP: 1.47560
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 194.05388604
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CO[N+](=O)[O-])CO[N+](=O)[O-]

Technology Process of Neopentyl glycol dinitrate

There total 3 articles about Neopentyl glycol dinitrate 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: 82.0%

2,2-Dimethyl-1,3-propanediol (126-30-7) → 2,2-dimethyl-1,3-propanediol dinitrate (26482-65-5)

Guidance literature:

With nitric acid; acetic anhydride; at 20 ℃;

DOI:10.1021/ic902387y

Reference yield: 73.0%

3,3-dimethyloxetane (6921-35-3) → 2,2-dimethyl-1,3-propanediol dinitrate (26482-65-5)

Guidance literature:

With dinitrogen pentoxide; In dichloromethane; at 10 - 15 ℃; for 3h;

DOI:10.1016/0040-4039(88)85272-9

Reference yield:

2,2-dimethylpropane-1,3-diol cyclic dimethylsilyl ether (14760-11-3) → 2,2-dimethyl-1,3-propanediol dinitrate (26482-65-5) + C7H16N2O7Si

Guidance literature:

With dinitrogen pentoxide; In dichloromethane; at -10 - 3 ℃; for 1.5h;

DOI:10.1016/S0040-4020(97)00093-8

upstream raw materials:

2,2-Dimethyl-1,3-propanediol

3,3-dimethyloxetane

2,2-dimethylpropane-1,3-diol cyclic dimethylsilyl ether

Downstream raw materials:

2-methyl-1,2-epoxypropane

formaldehyd

Refernces

• 1、 Millar, Ross W.,Philbin, Simon P.. "Clean nitrations: Novel syntheses of nitramines and nitrate esters by nitrodesilylation reactions using dinitrogen pentoxide (N2O5)". . p. 4371 - 4386. Retrieved 2007/10/03.
• 2、 Golding, P.,Millar, R. W.,Paul, N. C.,Richards, D. H.. "NITRATION BY OXIDES OF NITROGEN, PART 1: PREPARATION OF NITRATE ESTERS BY REACTION OF STRAINED-RING OXYGEN HETEROCYCLES WITH DINITROGEN PENTOXIDE". . p. 2731 - 2734. Retrieved 2007/10/02.