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BOC-SER(TOS)-OCH3

BOC-SER(TOS)-OCH3 structure

CAS No:
56926-94-4
Formula:
C16H23NO7S
Chemical Name:
BOC-SER(TOS)-OCH3
Synonyms:
BOC-L-SER(OTS)-OME;BOC-SER(TOS)-OCH3;BOC-SER(TOS)-OME;Boc-L-Ser(Tos)-OCH3;(S)-methyl 2-(tert-butoxycarbonylamino)-3-(tosyloxy)propanoate;REF DUPL: Boc-Ser(Tos)-OMe;Methyl (2S)-2-[N-(t-butoxycarbonyl)aMino]-3-(4-Methylbenzenesulfonyl)-oxypropionate;Methyl (2S)-2-[N-(tert-butoxycarbonyl)amino]-3-[[(4-methylphenyl)sulfonyl]oxy]propionate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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BOC-SER(TOS)-OCH3 Basic Attributes

Molecular Weight：

373.42

Exact Mass：

373.12000

DSSTox ID：

DTXSID70426556

Characteristics

PSA：

116

XLogP3：

2.2

Density：

1.236

Melting Point：

74-75℃

Boiling Point：

520°C at 760 mmHg

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

BOC-SER(TOS)-OCH3 Use and Manufacturing

To a solution of 5 (0.67 g, 3.1 mmol)in pyridine (10 mL) cooled on an ice bath was added p‐toluenesulfonyl chloride (3.0 g, 15.7 mmol). Afterstirring for 8 h on an ice bath under nitrogen atmosphere, Et2O (10 mL) was added to the solution, and themixture was further stirred at rt for 14 h. The resulting yellow solution was washed with water, 10percent potassium hydrogen sulfate, saturated sodium bicarbonate, and brine. The ethereal layer was dried over MgSO4 andevaporated. The obtained colorless oil was purified by silica gel column chromatography (hexane:EtOAc = 2:1)to give 6 as a white solid (1.05 g, 91percent). The spectral data of 6 were identical to the literature.32 The purity wasconfirmed by 1H NMR.To a solution of N-t-butoxycarbonyl-L-serine methyl ester (6.57 g, 30 mmol) in CH

Computed Properties

Molecular Weight:373.4
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:373.11952325
Monoisotopic Mass:373.11952325
Topological Polar Surface Area:116
Heavy Atom Count:25
Complexity:554
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 56926-94-4

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