O-BENZYL-L-SERINE METHYL ESTER HYDROCHLORIDE
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O-BENZYL-L-SERINE METHYL ESTER HYDROCHLORIDE
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CAS No:
19525-87-2
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Formula:
C11H16ClNO3
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Chemical Name:
O-BENZYL-L-SERINE METHYL ESTER HYDROCHLORIDE
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Synonyms:
O-BENZYL-L-SERINE METHYL ESTER HYDROCHLORIDE;METHYL O-BENZYL-L-SERINATE HYDROCHLORIDE;H-SER(BZL)-OME HCL;Benzylserinemethylesterhydrochloride;o-benzyl-l-serinemethylesterHCl;Methyl O-Benzyl-L-serinate HydrochlorideH-Ser(Bzl)-OMe.HCl;O-Benzyl-L-serine Methyl Ester Hydrochloride;(S)-Methyl 2-aMino-3-(benzyloxy)propanoate hydrochloride
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CAS No:
O-BENZYL-L-SERINE METHYL ESTER HYDROCHLORIDE Basic Attributes
245.7
245.081863
1533716-785-6
2923900090
Characteristics
61.6
2.20580
1.126g/cm3
164-166 °C
330.2°C at 760 mmHg
146.7ºC
5 ° (C=1, MeOH)
almost transparency
Store at 0°C
0.000169mmHg at 25°C
Safety Information
24/25
|Warning|H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]|P264, P280, P302+P352, P305+P351+P338, P312, P322, P337+P313, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
O-BENZYL-L-SERINE METHYL ESTER HYDROCHLORIDE Use and Manufacturing
A mixture of sodium 3, 6-diaminopyrazine-2, 5-dicarboxylate (300 mg, 1.24 mmol), L-Ser(OBn)-OMe.HCl salt (647 mg, 2.64 mmol), HOBt.H2O (570 mg, 3.72 mmol) and EDC.HCl (690 mg, 3.60 mmol) in DMF (25 mL) was treated with TEA (2 mL). The resulting mixture was stirred for 16 h and concentrated. Work up as in afforded 370 mg (51% yield) of the bisamide as a bright yellow powder: 1NMR (300 MHz, CDCl3): delta 8.47 (d, J=8.74 Hz, 2H), 7.25-7.37 (complex m, 10H), 5.98 (bs, 4H), 4.85 (dt, J=8.7, 3.3 Hz, 2H), 4.56 (ABq, J=12.6, Hz, Deltanu=11.9 Hz, 4H), 3.99 (one half of an ABq of d, J=8.7, 3.3, Deltanu obscured, 2H), 3.76-3.80 (one half of an ABq-obscured, 2H), 3.78 (s, 6H). 13C NMR (75 MHz, CDCl3) delta 170.5 (s), 165.1 (s), 146.8 (s), 138.7 (s) 128.6 (d), 128.1 (d), 127.8 (d), 126.9 (s), 73.5 (t), 69.8 (t), 53.0 (q), 52.9 (q).LCMS (5-95% gradient acetonitrile in 0.1% TFA over 10 min), single peak retention time=4.93 min on 30 mm column, (M+H)+=581.
Computed Properties
Molecular Weight:245.70
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:245.0818711
Monoisotopic Mass:245.0818711
Topological Polar Surface Area:61.6
Heavy Atom Count:16
Complexity:190
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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O-BENZYL-L-SERINE METHYL ESTER HYDROCHLORIDE
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