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Merck
CN

90218

tert-Butyl 3-hydroxypropionate

≥98.0% (GC)

Synonym(s):

1,1-Dimethylethyl 3-hydroxypropanoate, 3-Hydroxypropanoic acid tert-butyl ester, 3-Hydroxypropionate tert-butyl ester, 3-Hydroxypropionic acid tert-butyl ester, tert-Butyl 3-hydroxypropanoate

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About This Item

Linear Formula:
HOCH2CH2COOC(CH3)3
CAS Number:
59854-11-4
Molecular Weight:
146.18
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
57653376
MDL number:
MFCD04974574
Beilstein/REAXYS Number:
1854888
Assay:
≥98.0% (GC)
Form:
liquid

Key Documents

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InChI

1S/C7H14O3/c1-7(2,3)10-6(9)4-5-8/h8H,4-5H2,1-3H3

SMILES string

CC(C)(C)OC(=O)CCO

InChI key

NSXCURRVJMPAPA-UHFFFAOYSA-N

assay

≥98.0% (GC)

form

liquid

refractive index

n20/D 1.424

density

0.990 g/mL at 20 °C (lit.)

functional group

ester, hydroxyl

Quality Level

100

Related Categories

Application

tert-Butyl 3-hydroxypropionate is a key starting material for the synthesis of wortmannilactone C. It can also be used to prepare three-dimensional metal-fullerene frameworks (MFFs).

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCN0546
BCCM8323
BCBV7698
BCBR5196V
BCBQ0331V

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Three?Dimensional Metal?Fullerene Frameworks.
Kraft A, et al.
Chemistry?A European Journal , 22(17), 5982-5987 (2016)
Synthetic Approach to Wortmannilactone C.
Brandt D, et al.
Organic Letters, 17(4), 816-819 (2015)

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