tert-Butylimido-phosphoric trichloride

Base Information

• Chemical Name: tert-Butylimido-phosphoric trichloride
• CAS No.: 18854-80-3
• Molecular Formula: C4H9 Cl3 N P
• Molecular Weight: 208.455
• Hs Code.: 2931900090
• European Community (EC) Number: 627-242-5
• DSSTox Substance ID: DTXSID40399021
• Nikkaji Number: J1.807.764G
• Wikidata: Q82201324
• Mol file: 18854-80-3.mol

Synonyms:N-tert-Butylphosphorimidic trichloride;tert-Butylimido-phosphoric trichloride;18854-80-3;tert-butylimino(trichloro)-lambda5-phosphane;DTXSID40399021;tert-Butyliminotrichlorophosphorane;tertbutylphosphorimidoyl trichloride;TERT-BUTYL(TRICHLORO-??-PHOSPHANYLIDENE)AMINE

Chemical Property of tert-Butylimido-phosphoric trichloride

Chemical Property:

• Refractive Index: n20/D 1.479
• PSA: 22.17000
• Density: 1.235 g/mL at 20 °C(lit.)
• LogP: 4.44750
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 206.953819
• Heavy Atom Count: 9
• Complexity: 134

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34-37-14
• Safety Statements: 26-36/37/39-43-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)N=P(Cl)(Cl)Cl

Technology Process of tert-Butylimido-phosphoric trichloride

There total 2 articles about tert-Butylimido-phosphoric trichloride 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: 88.3%

tert-butylamine hydrochloride (10017-37-5) → (tert-butylimino)phosphorus trichloride (18854-80-3)

Guidance literature:

With phosphorus pentachloride; In various solvent(s); for 144h; Heating;

Reference yield: 77.0%

tert-butylamine (75-64-9) → (tert-butylimino)phosphorus trichloride (18854-80-3)

Guidance literature:

With phosphorus pentachloride; In pentane; at 20 ℃; Reflux;

DOI:10.1002/anie.201908589

Reference yield: 96.0%

pyrrolidine (123-75-1) + (tert-butylimino)phosphorus trichloride (18854-80-3) → tert-butylimino-tri(pyrrolidino)phosphorane (161118-67-8)

Guidance literature:

With potassium hydroxide; 1.) -40 deg C to 80 deg C; reflux, 2 h;

upstream raw materials:

tert-butylamine hydrochloride

tert-butylamine

Downstream raw materials:

tert-butylimino-tris(dimethylamino)phosphorane

1-tert-butyl-2,2,4,4,4-pentakis(dimethylamino)-2Λ⁵,4Λ⁵-catenadi(phosphazene)

3-(tert-Butylimino)-1,1,1,3,5,5,5-heptakis(dimethylamino)-1λ⁵,3λ⁵,5λ⁵-1,4-triphosphazadiene

phosphazene base-P₄-tert-butyl

Refernces

• 1、 Schwesinger, Reinhard,Willaredt, Juergen,Schlemper, Helmut,Keller, Manfred,Schmitt, Dieter,Fritz, Hans. "Novel, Very Strong, Uncharged Auxiliary Bases; Design and Synthesis of Monomeric and Polmer-Bound Triaminoiminophosphorane Bases of Broadly Varied Steric Demand". . p. 2435 - 2454. Retrieved 2007/10/02.