Triclofos

Base Information

• Chemical Name: Triclofos
• CAS No.: 306-52-5
• Deprecated CAS: 8060-81-9,857522-20-4,857522-20-4
• Molecular Formula: C2H4 Cl3 O4 P
• Molecular Weight: 229.384
• Hs Code.: 2919900090
• European Community (EC) Number: 206-185-6
• UNII: J712EO9048
• DSSTox Substance ID: DTXSID9023700
• Nikkaji Number: J5.500J
• Wikipedia: Triclofos
• Wikidata: Q15305564
• NCI Thesaurus Code: C87206
• Pharos Ligand ID: CVR7N7A8DT25
• Metabolomics Workbench ID: 67503
• ChEMBL ID: CHEMBL1201317
• Mol file: 306-52-5.mol

Synonyms:2,2,2-trichloroethyl dihydrogen phosphate, sodium salt;2,2,2-trichloroethyl phosphate;monosodium trichloroethyl phosphate;triclofos;triclofos, monosodium salt

Chemical Property of Triclofos

Chemical Property:

• Vapor Pressure: 6.26E-05mmHg at 25°C
• Refractive Index: 1.53
• Boiling Point: 321.2 °C at 760 mmHg
• PKA: 1.65±0.10(Predicted)
• Flash Point: 148.1 °C
• PSA: 76.57000
• Density: 1.891 g/cm³
• LogP: 1.46590
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 227.891279
• Heavy Atom Count: 10
• Complexity: 147

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(Cl)(Cl)Cl)OP(=O)(O)O
• Recent ClinicalTrials: Intranasal Dexmedetomidine vs Oral Triclofos Sodium for EEG in Children With Autism
• Uses: Triclofos is a hypnotic and sedative recommended for insomnia, nocturnal awakening, and early morning awakening.
• Therapeutic Function: Sedative, Hypnotic

Technology Process of Triclofos

There total 8 articles about Triclofos 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:

1,1,1-trichloroethanol (115-20-8) → 2,2,2-trichloroethyl dihydrogen phosphate (306-52-5)

Guidance literature:

With pyrophosphoric acid; at 90 ℃; for 16h;

DOI:10.1002/hlca.19620450663

Reference yield:

2-(2,2,2-trichloro-ethoxy)-[1,3,2]dioxaphospholane 2-oxide (67154-52-3) → 2,2,2-trichloroethyl dihydrogen phosphate (306-52-5)

Guidance literature:

Multistep reaction; (i) NaCN, (ii) NaOH;

Reference yield:

tris-(2,2,2-trichloroethyl) phosphite (1069-93-8) → 2,2,2-trichloroethyl dihydrogen phosphate (306-52-5)

Guidance literature:

With phosphoric acid; In nitromethane;

upstream raw materials:

1,1,1-trichloroethanol

2,2,2-trichloroethyl phosphorodichloridate

tris-(2,2,2-trichloroethyl) phosphite

2-(2,2,2-trichloro-ethoxy)-[1,3,2]dioxaphospholane 2-oxide

Downstream raw materials:

Phosphoric acid (2R,3R,4R,5R)-2-[bis-(4-methoxy-phenylsulfanyl)-phosphoryloxymethyl]-4-(4-methoxy-tetrahydro-pyran-4-yloxy)-5-[6-oxo-2-(trityl-amino)-1,6-dihydro-purin-9-yl]-tetrahydro-furan-3-yl ester 2,2,2-trichloro-ethyl ester

Hexadecanoic acid 2-[(2,3-bis-benzyloxy-propoxy)-(2,2,2-trichloro-ethoxy)-phosphoryloxy]-1-hexadecanoyloxymethyl-ethyl ester

Refernces

• 1、 Eckstein. "Beta, beta, beta-trichlor-ethanol as phosphoric acid protection groups for nucleotides". . p. 2228 - 2235. Retrieved 1967.