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226408

Sigma-Aldrich

o-Methyl-N,N′-diisopropylisourea

97%

Synonym(s):

N,N′-Diisopropyl-O-methylisourea

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About This Item

Linear Formula:
(CH3)2CHNHC(OCH3)=NCH(CH3)2
CAS Number:
54648-79-2
Molecular Weight:
158.24
Beilstein:
1753052
EC Number:
259-275-2
MDL number:
MFCD00008866
UNSPSC Code:
12352100
PubChem Substance ID:
24853565
NACRES:
NA.22

Assay

97%

refractive index

n20/D 1.436 (lit.)

bp

50-52 °C/0.1 mmHg (lit.)

density

0.871 g/mL at 25 °C (lit.)

functional group

amine

storage temp.

2-8°C

SMILES string

CO\C(NC(C)C)=N/C(C)C

InChI

1S/C8H18N2O/c1-6(2)9-8(11-5)10-7(3)4/h6-7H,1-5H3,(H,9,10)

InChI key

PUVRRPLSJKDMKH-UHFFFAOYSA-N

Application

o-Methyl-N,N′-diisopropylisourea was used in the synthesis of proline betaine (stahydrine) and 4-hydroxyproline betaine (betoncine).

Pictograms

Flame
GHS02

Signal Word

Warning

Hazard Statements

H226

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

95.0 °F - closed cup

Flash Point(C)

35 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
1451597V
BCBL5218V
1451596V
1451596
1451594V

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Betaines derived from amino and hydrazino acids as phase transfer catalysts.
Tetrahedron, 46(6), 1911-1922 (1990)

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