CAS No.46022-05-3,(1R,2R)-(-)-1,2-CYCLOHEXANEDICARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	46022-05-3
Name:	(1R,2R)-(-)-1,2-CYCLOHEXANEDICARBOXYLIC ACID
Article Data:	24

Formula:	C₈H₁₂O₄
Molecular Weight:	172.181
Synonyms:	1,2-Cyclohexanedicarboxylicacid, (1R-trans)-;(-)-trans-1,2-Cyclohexanedicarboxylic acid;(1R,2R)-Cyclohexane-1,2-dicarboxylic acid;
EINECS:	670-321-4
Density:	1.315 g/cm³
Melting Point:	184 °C
Boiling Point:	384.075 °C at 760 mmHg
Flash Point:	200.254 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	74.60000
LogP:	0.96200

Synthetic route

: 3886-69-9
(R)-1-phenyl-ethyl-amine

: racemic trans-cyclohexane-1,2-dicarboxylic acid

A: 46022-05-3
(1R,2R)-(-)-trans-cyclohexane-1,2-dicarboxylic acid

B: C24H30N2O2

Conditions

Conditions	Yield
Stage #1: (R)-1-phenyl-ethyl-amine; racemic trans-cyclohexane-1,2-dicarboxylic acid In methanol at 0 - 35℃; Inert atmosphere; Stage #2: With hydrogenchloride In water Inert atmosphere; enantioselective reaction;	A 25% B n/a

...Expand

: (R,R)-1,2-cyclohexane dicarboxylic acid (R)-1-phenylethyl amine salt

: 46022-05-3
(1R,2R)-(-)-trans-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
With hydrogenchloride In water	800 mg
With sodium hydroxide In chloroform; water for 0.5h; pH=10 - 11;

: (x)C8H11N*C8H12O4

: 46022-05-3
(1R,2R)-(-)-trans-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
With hydrogenchloride In water

: 2305-32-0
trans-1,2-cyclohexanedicarboxylic acid

: 46022-05-3
(1R,2R)-(-)-trans-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: ethanol / 6.5 h / -70 - 20 °C / Resolution of racemate 2: hydrogenchloride / water View Scheme
With (R)-1-phenyl-ethyl-amine In methanol; isopropyl alcohol at 30 - 40℃;	29.4 g

: 2-(nitromethyl)cyclohexane-1-carbaldehyde

: 46022-05-3
(1R,2R)-(-)-trans-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: dipyridinium dichromate / N,N-dimethyl-formamide / 20 °C / Inert atmosphere 2: acetic acid; sodium nitrite / dimethyl sulfoxide / 8 h / 40 °C / Inert atmosphere View Scheme

: 1292320-69-4
(1R,2R)-2-(nitromethyl)cyclohexane-1-carboxylic acid

: 46022-05-3
(1R,2R)-(-)-trans-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
With acetic acid; sodium nitrite In dimethyl sulfoxide at 40℃; for 8h; Inert atmosphere;

: 88-98-2, 2305-26-2, 15573-40-7, 50987-15-0, 51096-07-2, 51096-08-3
trans-cyclohex-4-ene-1,2-dicarboxylic acid

: 46022-05-3
(1R,2R)-(-)-trans-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: palladium; hydrogen / methanol / 30 - 35 °C 2.1: ethanol / 30 h / 35 - 75 °C 2.2: 1 h View Scheme

: 3886-69-9
(R)-1-phenyl-ethyl-amine

: 2305-32-0
trans-1,2-cyclohexanedicarboxylic acid

: 46022-05-3
(1R,2R)-(-)-trans-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
Stage #1: (R)-1-phenyl-ethyl-amine; trans-1,2-cyclohexanedicarboxylic acid In ethanol at 35 - 75℃; for 30h; Stage #2: With hydrogenchloride In water; ethyl acetate for 1h;

: 2305-32-0
trans-1,2-cyclohexanedicarboxylic acid

A: 46022-05-3
(1R,2R)-(-)-trans-cyclohexane-1,2-dicarboxylic acid

B: 610-10-6, 1687-30-5, 2305-32-0, 21963-41-7, 46022-05-3, 610-09-3
(1S,2S)-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
With FS-Hydrodex β-6TBDM column Resolution of racemate;

: 88-98-2
cyclohex-4-ene-1,2-dicarboxylic acid

: 46022-05-3
(1R,2R)-(-)-trans-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: hydrogen / methanol / 20 °C / Autoclave 2: methanol / 2.5 h / 20 °C 3: sodium hydroxide / water; chloroform / 0.5 h / pH 10 - 11 View Scheme

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Specification

The 1,2-Cyclohexanedicarboxylicacid, (1R,2R)-, with the CAS registry number 46022-05-3, is also known as Cyclohexane-1,2-dicarboxylic acid, trans. It belongs to the product categories of Carboxylic Acids (Chiral); Chiral Building Blocks; Synthetic Organic Chemistry. This chemical's molecular formula is C₈H₁₂O₄ and molecular weight is 172.1785. Its IUPAC name is called (1R,2R)-cyclohexane-1,2-dicarboxylic acid. The product should be sealed and stored in cool and dry place.

Physical properties of 1,2-Cyclohexanedicarboxylicacid, (1R,2R)-: (1)ACD/LogP: 0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.861; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.521; (11)Molar Refractivity: 39.885 cm³; (12)Molar Volume: 130.952 cm³; (13)Surface Tension: 57.832 dyne/cm; (14)Density: 1.315 g/cm³; (15)Flash Point: 200.254 °C; (16)Enthalpy of Vaporization: 69.461 kJ/mol; (17)Boiling Point: 384.075 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC(C(C1)C(=O)O)C(=O)O
(2)Isomeric SMILES: C1CC[C@H]([C@@H](C1)C(=O)O)C(=O)O
(3)InChI: InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-/m1/s1
(4)InChIKey: QSAWQNUELGIYBC-PHDIDXHHSA-N