L-Aspartic acid, 1,4-bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1)
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L-Aspartic acid, 1,4-bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1)
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CAS No:
2886-33-1
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Formula:
C18H19NO4.C7H8O3S
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Chemical Name:
L-Aspartic acid, 1,4-bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1)
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Synonyms:
L-Aspartic acid,1,4-bis(phenylmethyl) ester,4-methylbenzenesulfonate (1:1);Aspartic acid,dibenzyl ester,p-toluenesulfonate;L-Aspartic acid,bis(phenylmethyl) ester,4-methylbenzenesulfonate;L-Aspartic acid dibenzyl ester tosylate;Dibenzyl aspartate p-tosylate;L-Aspartic acid α,α-dibenzyl ester tosylate;Dibenzyl L-aspartate tosylate;Dibenzyl aspartate tosylate salt;Dibenzyl aspartate tosylate;L-Aspartic acid dibenzyl ester p-toluenesulfonate;L-Aspartic acid dibenzyl ester p-toluenesulfonate salt;S-Aspartic acid dibenzyl ester p-tosylate;L-Aspartic acid dibenzyl ester 4-toluenesulfonate salt;257940-89-9
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CAS No:
L-Aspartic acid, 1,4-bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1) Basic Attributes
485.55
485.150818
220-746-2
29224999
Characteristics
141
5.21340
Pale brown Powder
157-160 °C(lit.)
455.3°C at 760 mmHg
−20°C
1.78E-08mmHg at 25°C
9 º (c=1 in chloroform)
Safety Information
NONH for all modes of transport
3
22-24/25
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
L-Aspartic acid, 1,4-bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1) Use and Manufacturing
L-Aspartic Acid Dibenzyl Ester p-Toluenesulfonate Salt is used in the preparation of Betulinic Acid derivatives that show inhibition towards HIV. It is also used in the preparation of piperidine functional amides which act as potent and highly selective human β3 agonists.
Computed Properties
Molecular Weight:485.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:485.15082337
Monoisotopic Mass:485.15082337
Topological Polar Surface Area:141
Heavy Atom Count:34
Complexity:580
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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