Diethyl (3-bromopropyl)phosphonate

Base Information

• Chemical Name: Diethyl (3-bromopropyl)phosphonate
• CAS No.: 1186-10-3
• Molecular Formula: C7H16 Br O3 P
• Molecular Weight: 259.08
• Hs Code.: 29319000
• European Community (EC) Number: 805-814-7
• NSC Number: 138345
• DSSTox Substance ID: DTXSID50300688
• Nikkaji Number: J1.238.276F
• Mol file: 1186-10-3.mol

Synonyms:1186-10-3;diethyl (3-bromopropyl)phosphonate;Diethyl 3-Bromopropylphosphonate;Diethyl(3-bromopropyl)phosphonate;1-bromo-3-diethoxyphosphorylpropane;(3-Bromopropyl)phosphonic acid diethyl ester;NSC 138345;Phosphonic acid, (3-bromopropyl)-, diethyl ester;MFCD00800966;NSC138345;C7H16BrO3P;SCHEMBL321312;diethyl 3-bromopropanphosphonate;diethyl-3-bromopropylphosphonate;Diethyl 3-bromopropanephosphonate;DTXSID50300688;CHEBI:188792;diethyl(3-bromopropyl)-phosphonate;AMY42222;BCP18467;diethyl-(3-bromopropyl)-phosphonate;AKOS015913048;CS-W012527;NSC-138345;Diethyl(3-bromopropyl)phosphonate, 95%;3-bromopropyl phosphonic acid diethylester;3-Bromopropylphosphonic acid diethyl ester;AS-10528;SY052759;D4434;FT-0666746;1-[3-bromopropyl(ethoxy)phosphoryl]oxyethane;EN300-97141;(3-Bromo-propyl)-phosphonic acid diethyl ester;H11375;A893087;Phosphonic acid,p-(3-bromopropyl)-,diethyl ester;J-003854

Chemical Property of Diethyl (3-bromopropyl)phosphonate

Chemical Property:

• Vapor Pressure: 0.00394mmHg at 25°C
• Refractive Index: n20/D 1.4620(lit.)
• Boiling Point: 288.9°Cat760mmHg
• Flash Point: 128.5°C
• PSA: 45.34000
• Density: 1.334g/cm³
• LogP: 3.03750
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Acetone, Chloroform, Ethanol, Ethyl Acetate, Methanol,
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 258.00204
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

97% ^*data from raw suppliers

Diethyl (3-Bromopropyl)phosphonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: R36/37/38:
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(CCCBr)OCC
• Uses: Reactant for synthesis of: Hybrid assembly composed of titanium dioxide nanoparticles and thin multi-walled carbon nanotubesOrganosoluble zirconium phosphonate nanocomposites for asymmetric hydrogenationCyclic hydroxamic acids via alkylation followed by intramolecular cyclizationpH-responsive cyclopolymerReactant for: Homogenization of zirconium hydroxide phosphonate supported ruthenium catalystReactions with sodium imidazolide

Technology Process of Diethyl (3-bromopropyl)phosphonate

There total 10 articles about Diethyl (3-bromopropyl)phosphonate 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%

1,3-dibromo-propane (109-64-8) + triethyl phosphite (122-52-1) → diethyl 3-(bromopropyl)phosphonic acid (1186-10-3)

Guidance literature:

for 1h; Heating;

DOI:10.1002/(sici)1521-3773(19990712)38:13/14<2020::aid-anie2020>3.0.co;2-r

Reference yield: 95.0%

triethyl phosphate (78-40-0) + 1,3-dibromo-propane (109-64-8) → diethyl 3-(bromopropyl)phosphonic acid (1186-10-3)

Guidance literature:

for 1h; Reflux;

Reference yield: 73.0%

1,3-dibromo-propane (109-64-8) + triethyl phosphite (122-52-1) → ethyl bromide (74-96-4) + diethyl 3-(bromopropyl)phosphonic acid (1186-10-3)

Guidance literature:

at 155 - 160 ℃; for 0.5h;

upstream raw materials:

1,3-dibromo-propane

triethyl phosphite

ethanol

propyl bromide

Downstream raw materials:

{3-[(4-Methoxy-benzyloxy)-(toluene-4-sulfonyl)-amino]-propyl}-phosphonic acid diethyl ester

3-bromopropane-1-phosphonic acid

3-(N-hydroxyamino)-propylphosphonic acid diethylester

(S)-2-amino-5-phosphonopentanoic acid