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719293

Sigma-Aldrich

(S)-3-(Boc-amino)-2,4-dimethyl-2-pentanol

97%

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About This Item

Empirical Formula (Hill Notation):
C12H25NO3
CAS Number:
157035-77-3
Molecular Weight:
231.33
MDL number:
MFCD14636538
UNSPSC Code:
12352108
PubChem Substance ID:
329763636
NACRES:
NA.22

Assay

97%

form

solid

optical activity

[α]22/D −14.2°, c = 0.5 in chloroform

mp

54-60 °C

functional group

amine
hydroxyl

SMILES string

CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)O

InChI

1S/C12H25NO3/c1-8(2)9(12(6,7)15)13-10(14)16-11(3,4)5/h8-9,15H,1-7H3,(H,13,14)/t9-/m0/s1

InChI key

AWLRFWWWKJXWTQ-VIFPVBQESA-N

Application

(S)-3-(Boc-amino)-2,4-dimethyl-2-pentanol can be used as an intermediate to prepare:
  • Tris(4S-isopropyl-5,5-dimethyl-2-oxazolinyl)phenylborate ligand, applicable in the synthesis of various metal complexes bearing catalyst properties.
  • Hydroxy isocyanides, important building blocks for the synthesis of (hydroxyalkyl)oxazoline ligands.

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H301

Precautionary Statements

P301 + P310

Hazard Classifications

Acute Tox. 3 Oral

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

>230.0 °F - closed cup

Flash Point(C)

> 110 °C - closed cup

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBR9980V
MKBN8114V
MKBD5093
MKBC3016

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Straightforward synthesis of chiral hydroxy isocyanides
Bauer M and Kazmaier U
European Journal of Organic Chemistry, 2009(14), 2360-2366 (2009)
Organometallic Complexes of Bulky, Optically Active, C 3-Symmetric Tris (4 S-isopropyl-5, 5-dimethyl-2-oxazolinyl) phenylborate (ToP*)
Xu S, et al.
Organometallics, 34(14), 3508-3519 (2015)

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