(-)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid
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(-)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid
structure -
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CAS No:
85977-52-2
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Formula:
C11H12O2
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Chemical Name:
(-)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid
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Synonyms:
1-Naphthalenecarboxylic acid,1,2,3,4-tetrahydro-,(1S)-;1-Naphthalenecarboxylic acid,1,2,3,4-tetrahydro-,(S)-;(1S)-1,2,3,4-Tetrahydro-1-naphthalenecarboxylic acid;D-(-)-1,2,3,4-Tetrahydro-1-naphthoic acid;(S)-1,2,3,4-Tetrahydro-1-naphthoic acid;(-)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid;(S)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid;(1S)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid
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CAS No:
(-)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid Basic Attributes
176.21
176.21
617-787-7
DTXSID40647519
2916399090
Characteristics
37.3
2.4
Crystalline white or yellow powder
1.2±0.1 g/cm3
54-56°C
342.7°C at 760 mmHg
156.4±16.7 °C
1.576
Refrigerator
Safety Information
22-36-51
26
Xi: Irritant;
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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|Aggregated GHS information provided by 4 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
(-)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid Use and Manufacturing
15.6 g, 0.1 mol of 1, 2, 3, 4-tetrahydronaphthoic acid and 29.8 g, 0.1 mol of quinine were added to 158 ml of 50 V / Vpercent ethanol, stirred at 50 ° C for 30 minutes to dissolve the solution, TLC detection The reaction is complete, PE: EA = 1:2, and the temperature is lowered to below 0 °C for overnight, crystallization, suction filtration, drying, and then adding 90 ml of ethanol to refine, crystallization at 0 ° C, suction filtration, drying, adding 55 ml1 mol / L hydrochloric acid and 100 ml of ethyl acetate, liquid separation, drying, filtration, concentration, the residue was recrystallized from n-hexane to give(S)-1, 2, 3, 4-tetrahydronaphthoic acid white solid 7.21g, The yield was 43.6percent,
Intermediate in the preparation of Dipeptidyl Boronate Proteasome Inhibitors.
Computed Properties
Molecular Weight:176.21
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:176.083729621
Monoisotopic Mass:176.083729621
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:200
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(-)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid
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