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409731

Methyl (S)-(−)-2-isocyanato-3-phenylpropionate

Name: Methyl (<I>S</I>)-(−)-2-isocyanato-3-phenylpropionate
Brand: ALDRICH

99%

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About This Item

Linear Formula:

C₆H₅CH₂CH(NCO)CO₂CH₃

CAS Number:

40203-94-9

Molecular Weight:

205.21

UNSPSC Code:

12352108

PubChem Substance ID:

24865670

MDL number:

MFCD00191535

Assay:

99%

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Properties

assay

99%

optical activity

[α]20/D −80.0°, neat

refractive index

n20/D 1.513 (lit.)

bp

244 °C (lit.)

density

1.13 g/mL at 25 °C (lit.)

SMILES string

COC(=O)[C@H](Cc1ccccc1)N=C=O

InChI

1S/C11H11NO3/c1-15-11(14)10(12-8-13)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3/t10-/m0/s1

InChI key

JOTMMIYKEOOTNZ-JTQLQIEISA-N

Description

Application

This compound has been employed in the preparation of dipeptide analogs of angiotensinogen and Schiff base derivatives for the inhibition of thermolysin.

pictograms

GHS02,GHS08,GHS07

signalword

Danger

hcodes

H226,H302 + H312 + H332,H315,H317,H319,H334,H335

pcodes

P210 - P233 - P280 - P301 + P312 - P303 + P361 + P353 - P305 + P351 + P338

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

116.1 °F - closed cup

flash_point_c

46.7 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Bates, S.R.E. et al.

J. Chem. Res. Synop., 48-48 (1993)

Renin inhibitors. Dipeptide analogues of angiotensinogen utilizing a structurally modified phenylalanine residue to impart proteolytic stability.

J J Plattner et al.

Journal of medicinal chemistry, 31(12), 2277-2288 (1988-12-01)

A series of renin inhibitors have been prepared and evaluated for their susceptibility to cleavage by the serine protease chymotrypsin. The compounds were designed by consideration of the structural requirements in the active-site region of renin and chymotrypsin. By systematic