Di-tert-butyl N,N-Diisopropylphosphoramidite (HCID 853005)

Names & identifiers

Preferred name: Di-tert-butyl N,N-Diisopropylphosphoramidite
IUPAC: N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]-N-propan-2-ylpropan-2-amine
English name: Di-tert-butyl N,N-diisopropylphosphoramidite
Molecular formula: C14H32NO2P
Molecular weight: 277.38

Names & synonyms

Di-tert-butyl N,N-diisopropylphosphoramiditeRefChem:586109627-964-0137348-86-8di-tert-butyl diisopropylphosphoramiditeDi-t-butyl N,N-diisopropylphosphoramiditeMFCD00153506Di-tert-butoxy(diisopropylamino)phosphineN-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]-N-propan-2-ylpropan-2-amineN-ditert-butoxyphosphanyl-N-isopropyl-propan-2-amineN-Di-tert-butoxyphosphanyl-N-isopropyl-propan-2-amineCS-W010070

Show more names

N,N-diisopropylphosphoraMiditeBis(1,1-dimethylethyl) N,N-bis(1-methylethyl)phosphoramidite13748-86-8di-tert-butyl diisopropylphosphoramideDIISOPROPYL DI-TERT-BUTYLPHOSPHORAMIDITEDi-tert-butyl diisopropylphosphoramidoite

AS-66083H11363Di-tert-butyl N,N-diisopropylphosphoramidite, 95%Diisopropyl-phosphoramidous acid di-tert-butyl esterC14H32NO2P[bis(tert-butoxy)phosphino]bis(methylethyl)amineDi-t-butylN,N-diisopropylphosphoramiditedi-tert-butyl-N,N-diisopropylphosphoramidite

Database identifiers

CAS: 137348-86-8
PubChem CID: 853005
DTXSID: DTXSID00357384
EC Number: 627-964-0
Nikkaji: J986.171H

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 21.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 217

Physicochemical properties

Boiling point: 85 · 85-90 °C/0.2 mmHg (lit.)
Density: 0.879 g/mL · 0.879 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.444(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 4.9 · 4.90±0.70(Predicted)
form: Liquid
color: Clear colorless
BRN: 4858847 · 4858847
Stability: Moisture Sensitive
InChI: InChI=1S/C14H32NO2P/c1-11(2)15(12(3)4)18(16-13(5,6)7)17-14(8,9)10/h11-12H,1-10H3
InChIKey: YGFLCNPXEPDANQ-UHFFFAOYSA-N
SMILES: P(N(C(C)C)C(C)C)(OC(C)(C)C)OC(C)(C)C
CAS DataBase Reference: 137348 · 137348-86-8(CAS DataBase Reference)
UNSPSC Code: 12352001 · 12352001
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
F: 10 · 10-23
HS Code: 29349990 · 29349990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 10-23
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29349990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

UsesDi-tert-butyl N,N-diisopropylphosphoramidite is a general reagent to introduce tert-butyl-protected phosphate groups. It is commonly used in phosphorylation of biomolecules. It can also be used in the synthesis of phosphoramidate-linked glycoconjugates.

UsesA phosphinane derivative with immunomodulating activity.