(1R)-3-Cyclohexene-1-carboxylic acid
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(1R)-3-Cyclohexene-1-carboxylic acid
structure -
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CAS No:
5709-98-8
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Formula:
C7H10O2
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Chemical Name:
(1R)-3-Cyclohexene-1-carboxylic acid
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Synonyms:
3-Cyclohexene-1-carboxylic acid,(1R)-;3-Cyclohexene-1-carboxylic acid,(R)-;3-Cyclohexene-1-carboxylic acid,(R)-(+)-;(1R)-3-Cyclohexene-1-carboxylic acid;(R)-(+)-3-Cyclohexene-1-carboxylic acid;(R)-3-Cyclohexenecarboxylic acid;(R)-3-Cyclohexene-1-carboxylic acid;(R)-Cyclohex-3-enecarboxylicacid;(R)-3-Cyclohexene-1-carboxylic acid;(R)-Cyclohex-3-enecarboxylic acid;3-Cyclohexene-1-carboxylic acid (1R)-
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CAS No:
Safety Information
Ⅲ
3265
8
26-36/37/39-45
C
P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501
H314
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 42 companies from 3 notifications to the ECHA C&L Inventory.
(1R)-3-Cyclohexene-1-carboxylic acid Use and Manufacturing
Synthesis of Intermediate IV:To a stirred suspension of methylester III (5.19 g, 37.0 mmol) in pH 7.00 phosphate buffer solution (520 ml, 0.07 M), PLE (51.2 mg, 1382 units) was added. The pH was kept at 7 by adding NaOH solution (1.0 M) via syringe pump. The reaction was stirred at r.t. until one equivalent of NaOH (37 ml) was used (11 h, TLC-control: petroleum ether/EtTo a stirred suspension of methylester III (5.19 g, 37.0 mmol) in pH 7.00 phosphate buffer solution (520 ml, 0.07 M), PLE (51.2 mg, 1382 units) was added. The pH was kept at 7 by adding NaOH solution (1.0 M) via syringe pump. The reaction was stirred at r.t. until one equivalent of NaOH (37 ml) was used (11 h, TLC-control: petroleum ether/EtA mixture of the Diels-Alder adduct (1.71 g, 7.2 mmol) and LiOH.HCrude (S) -3-cyclohexane-1-carboxylic acid / (1R, 2S) -1-amino-3-cyclohexane-1-carboxylic acid (4.55 g), (1R, 2S) -1-amino-2-indanol (4.30 g) was added to water containing 2-propanol (45 mL), heated to 60 ° C. To dissolve the precipitate. The reaction solution was cooled to 50 ° C. and stirred for 2 hours after crystallization. It was gradually cooled to room temperature at 5 ° C / h and stirred for 12 hours. The precipitate was collected by filtration, washed with 2-propanol (10 mL), and dried under reduced pressure at 40 ° C. to obtain the title compound (5.05 g, 50.9percent, 26.5percent ee) as a white solid
An intermediate of Leustroducsin B (LSN-B)
Computed Properties
Molecular Weight:126.15
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:126.068079557
Monoisotopic Mass:126.068079557
Topological Polar Surface Area:37.3
Heavy Atom Count:9
Complexity:138
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(1R)-3-Cyclohexene-1-carboxylic acid
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