[chloro(methoxy)phosphanyl]bis(propan-2-yl)amine

• ChemBase ID: 146769
• Molecular Formular: C7H17ClNOP
• Molecular Mass: 197.642741
• Monoisotopic Mass: 197.07362848
• SMILES: CC(C)N(C(C)C)P(OC)Cl
• Canonical SMILES: COP(N(C(C)C)C(C)C)Cl
• InChI: InChI=1S/C7H17ClNOP/c1-6(2)9(7(3)4)11(8)10-5/h6-7H,1-5H3
• InChIKey: VOVWQRQDSCYAEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [chloro(methoxy)phosphanyl]bis(propan-2-yl)amine
• IUPAC Traditional name: [chloro(methoxy)phosphanyl]diisopropylamine
• Synonyms: Chloro(diisopropylamino)methoxyphosphine; Methyl N,N-diisopropylchlorophosphoramidite; Methyl N,N-diisopropylphosphoramidochloridite; N,N-Diisopropylmethylphosphonamidic chloride; N,N-Bis(1-methylethyl)phosphoramidochloridous Acid Methyl Ester; (N,N-Diisopropylamino)methoxychlorophosphine; Methyl Diisopropylphosphoramidochloridite; N,N-Diisopropylmethylphosphoramidic Chloride, 80%; Chloro(diisopropylamino)methoxyphosphine; 甲基 N,N-二异丙基氯亚磷酰胺; 甲基 N,N-二异丙基膦酰胺基氯化物; 氯(二异丙基氨基)甲氧基膦

Database IDs

• CAS Number: 86030-43-5
• MDL Number: MFCD00009859
• Beilstein Number: 3600769
• PubChem SID: 162240961; 24854597; 24855746
• PubChem CID: 4574914

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3389263
• LogD (pH = 7.4): 2.4547048
• Log P: 2.4564
• Molar Refractivity: 52.2474 cm^3
• Polarizability: 20.422174 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane
• Apperance: Colourless Liquid; turbid, viscous liquid (turbid viscous)
• Boiling Point: 34-35 °C/0.8 mmHg(lit.); 67°C@10mmHg.
• Flash Point: 161.6 °F; 72 °C
• Density: 1.018 g/mL at 25 °C(lit.); 1.023 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.468(lit.); n20/D 1.470

Safety Information

• Storage Condition: Refrigerator
• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2

Product Information

• Purity: ≥90% (GC); 95%
• Grade: technical
• Linear Formula: [(CH3)2CH]2NP(OCH3)Cl

DETAILS

Sigma Aldrich - 262528

Packaging
1, 5 g in glass bottle
Application
Reagent used for polymer-supported deoxyoligonucleotide1 and oligoribonucleotide2,3 syntheses.

Sigma Aldrich - 24305

Other Notes
Phosphitylating agent used in the synthesis of oligonucleotides by the phosphoramidite method 1; Preparation of mixed diester-amides 2

Toronto Research Chemicals - D459345

N,N-Diisopropylmethylphosphoramidic Chloride is used in the synthesis of phosphorothioate analogs of platelet-activating factor.

REFERENCES

• Rosario-Jansen, T., et al.: Biochemistry, 27(13), 4619 (13)