1,1-Cyclohexanediacetic acid supplier

Name
1,1-Cyclohexanediacetic acid
EINECS 224-427-9
CAS No. 4355-11-7
Article Data15
CAS DataBase
Density 1.182g/cm³
Solubility
Melting Point 67-70 °C(lit.)
Formula C₁₀H₁₆O₄
Boiling Point 405.7 °C at 760 mmHg
Molecular Weight 200.235
Flash Point 213.3 °C
Transport Information
Appearance White to off-white crystalline powder
Safety 22-24/25-37/39-26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms NSC169443;NSC 39839;1,1-Cyclohexane diacetic acid monoamide(CAM);
PSA 74.60000
LogP 1.88630

Synthetic route

: 60-29-7
diethyl ether

: 70197-61-4
Dimethyl 1,1-cyclohexanediacetate

: 124-41-4
sodium methylate

A: 29800-56-4
spiro<3,5>nonan-2-one

B: 4355-11-7
1,1-cyclohexanediacetic acid

C: 861565-22-2
spiro[4.5]decane-2,3-dione

...Expand

: 64-17-5
ethanol

: 1552-92-7
ethyl cyclohexylideneacetate

: 18852-51-2
sodium cyanoacetic acid ethyl ester

: 4355-11-7
1,1-cyclohexanediacetic acid

Conditions

Conditions	Yield
Verseifen des Reaktionsprodukts mit Schwefelsaeure;

...Expand

: 1552-92-7
ethyl cyclohexylideneacetate

: 18852-51-2
sodium cyanoacetic acid ethyl ester

: 4355-11-7
1,1-cyclohexanediacetic acid

Conditions

Conditions	Yield
Hydrolyse des Reaktionsprodukts mit Schwefelsaeure;
und folgenden Hydrolyse des Reaktionsprodukts mit siedender 50prozentiger Schwefelsaeure;

: 42940-52-3
3-methyl-2,4-dioxo-3-aza-spiro[5.5]undecane-1,5-dicarbonitrile

: 4355-11-7
1,1-cyclohexanediacetic acid

Conditions

Conditions	Yield
Hydrolysis;

: 4355-15-1
2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile

: 4355-11-7
1,1-cyclohexanediacetic acid

Conditions

Conditions	Yield
With sulfuric acid
With hydrogenchloride; water; acetic acid for 84h; Heating;

: 4355-34-4
Cyclohexan-1.1-diacetonitril

: 4355-11-7
1,1-cyclohexanediacetic acid

Conditions

Conditions	Yield
With hydrogenchloride

: 122821-50-5
2-hydroxyspiro<4,5>-dec-1-en-3-one

A: 67950-95-2
1-carboxycyclohexylacetic acid

B: 4355-11-7
1,1-cyclohexanediacetic acid

C: 122800-90-2
(1-formylcyclohexyl)acetic acid

Conditions

Conditions	Yield
With 18-crown-6 ether In toluene for 8h; Product distribution; Mechanism; Ambient temperature;

...Expand

: 6627-87-8
2,4-dioxo-3-aza-spiro[5.5]undecane-1-carbonitrile

: 7664-93-9
sulfuric acid

: 4355-11-7
1,1-cyclohexanediacetic acid

Conditions

Conditions	Yield
Hydrolysis;

: 7664-93-9
sulfuric acid

: 4355-15-1
2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile

: 4355-11-7
1,1-cyclohexanediacetic acid

: 7664-93-9
sulfuric acid

: 5-cyano-2-imino-4-oxo-3-aza-spiro[5.5]undecane-1-carboxylic acid amide

: 4355-11-7
1,1-cyclohexanediacetic acid

: 7664-93-9
sulfuric acid

: 851912-56-6
3-carbamoyl-5-cyano-4-spirocyclohexanepiperidine-2,6-dione

: 4355-11-7
1,1-cyclohexanediacetic acid

: 7664-93-9
sulfuric acid

: 90961-78-7
spiro[cyclohexane-1,9’-(3,7-diazabicycle-[3.3.1]nonane)]-2’,4’,6’,8’-tetraone

: 4355-11-7
1,1-cyclohexanediacetic acid

: 7664-93-9
sulfuric acid

: 4',8'-diamino-spiro[cyclohexane-1,9'-(3,7-diaza-bicyclo[3.3.1]nona-3,7-diene)]-2',6'-dione

: 4355-11-7
1,1-cyclohexanediacetic acid

: 6051-08-7
3-oxaspiro[5.5]undecan-2-one

chromic acid: chromic acid

: 4355-11-7
1,1-cyclohexanediacetic acid

: 1481-99-8
spiro[5.5]undecane-2,4-dione

: 7726-95-6
bromine

: 4355-11-7
1,1-cyclohexanediacetic acid

Conditions

Conditions	Yield
at 0℃;

2.6-dioxo-4.4-pentamethylene-3-cyano-piperidine: 2.6-dioxo-4.4-pentamethylene-3-cyano-piperidine

: 4355-11-7
1,1-cyclohexanediacetic acid

Conditions

Conditions	Yield
With sulfuric acid Hydrolysis;

amidenitrile of/the/ 6-oxo-2-imino-4.4-pentamethylene-piperidine-dicarboxylic acid-(3.5): amidenitrile of/the/ 6-oxo-2-imino-4.4-pentamethylene-piperidine-dicarboxylic acid-(3.5)

: 4355-11-7
1,1-cyclohexanediacetic acid

Conditions

Conditions	Yield
With sulfuric acid

dinitrile of/the/ 2.6-dioxo-4.4-pentamethylene-piperidine-dicarboxylic acid-(3.5): dinitrile of/the/ 2.6-dioxo-4.4-pentamethylene-piperidine-dicarboxylic acid-(3.5)

: 4355-11-7
1,1-cyclohexanediacetic acid

Conditions

Conditions	Yield
With sulfuric acid

: 56-23-5
tetrachloromethane

: 108667-25-0
cyclohexylidenedi-acetic acid diethyl ester

potassium: potassium

A: 29800-56-4
spiro<3,5>nonan-2-one

B: 4355-11-7
1,1-cyclohexanediacetic acid

C: 861565-22-2
spiro[4.5]decane-2,3-dione

D monoethyl ester: monoethyl ester

Conditions

Conditions	Yield
Zersetzung des Reaktionsprodukts mit Eis und Schwefelsaeure;

...Expand

: 56-23-5
tetrachloromethane

: 108667-25-0
cyclohexylidenedi-acetic acid diethyl ester

sodium: sodium

A: 29800-56-4
spiro<3,5>nonan-2-one

B: 4355-11-7
1,1-cyclohexanediacetic acid

C: 861565-22-2
spiro[4.5]decane-2,3-dione

D monoethyl ester: monoethyl ester

Conditions

Conditions	Yield
at 150℃; Zersetzung des Reaktionsprodukts mit Eis und Schwefelsaeure;

...Expand

: 861565-22-2
spiro[4.5]decane-2,3-dione

: 7722-84-1
dihydrogen peroxide

natrium carbonate: natrium carbonate

: 4355-11-7
1,1-cyclohexanediacetic acid

...Expand

: (1-acetonyl-cyclohexyl)-acetic acid methyl ester

methanolic KOH-solution: methanolic KOH-solution

A: 4355-11-7
1,1-cyclohexanediacetic acid

B: 871883-94-2
(1-acetonyl-cyclohexyl)-acetic acid

...Expand

: 4355-11-7
1,1-cyclohexanediacetic acid

: 1,1-cyclohexanediacetic anhydride

Conditions

Conditions	Yield
With acetic anhydride	99%
In acetic anhydride	7.28 g (100%)

: 4355-11-7
1,1-cyclohexanediacetic acid

: 1130-32-1
3-azaspiro[5,5]undecane-2,4-dione

Conditions

Conditions	Yield
With ammonium acetate; acetic anhydride at 160 - 170℃; for 8h;	97%
With urea at 90 - 140℃; Product distribution / selectivity;

: 4355-11-7
1,1-cyclohexanediacetic acid

: 887589-52-8
3,3-pentamethylene glutarimide

Conditions

Conditions	Yield
Stage #1: 1,1-cyclohexanediacetic acid With ammonium acetate; acetic anhydride at 160 - 170℃; for 8h; Stage #2: With ammonia In water; iso-butanol at 20 - 110℃; pH=9;	97%

: 4355-11-7
1,1-cyclohexanediacetic acid

: 77287-34-4, 77287-35-5, 60100-09-6
formamide

: 1130-32-1
3-azaspiro[5,5]undecane-2,4-dione

Conditions

Conditions	Yield
at 150 - 160℃; for 4h; Green chemistry;	97%

: 4355-11-7
1,1-cyclohexanediacetic acid

: 3187-27-7
2,2'-(cyclohexane-1,1-diyl)bis(ethan-1-ol)

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃;	90%
With lithium aluminium tetrahydride In diethyl ether	90%
With lithium aluminium tetrahydride In tetrahydrofuran; diethyl ether 1) 2 h, reflux, 2) 12 h, r.t.;	86%

: 4355-11-7
1,1-cyclohexanediacetic acid

: 79-03-8
propionyl chloride

: 1588-18-7
3-methylspiro[5.5]undecane-2,4-dione

Conditions

Conditions	Yield
Stage #1: 1,1-cyclohexanediacetic acid With aluminum (III) chloride; nitromethane In 1,2-dichloro-ethane at 20℃; for 1h; Inert atmosphere; Stage #2: propionyl chloride In 1,2-dichloro-ethane at 80℃; for 3h; Inert atmosphere;	85%

: 4355-11-7
1,1-cyclohexanediacetic acid

: 25148-68-9
N-methylbenzene-1,2-diamine dihydrochloride

: 1,1‑bis(1‑methyl‑benzoimidazol‑2‑ylmethyl)cyclohexane

Conditions

Conditions	Yield
Stage #1: 1,1-cyclohexanediacetic acid; N-methylbenzene-1,2-diamine dihydrochloride With phosphoric acid at 180℃; for 6h; Stage #2: With sodium hydroxide In water pH=7 - 8;	83%

: 366-18-7
[2,2]bipyridinyl

: cobalt pivalate

: 64-17-5
ethanol

: 4355-11-7
1,1-cyclohexanediacetic acid

: bis(μ-trimethylacetato-k2-O,O')bis(μ3-1,1-cyclohexanediacetato-k4O,O,O',O')bis(2,2'-dipyridyl)bis(ethanol-k1O)tricobalt(II)

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydroxide In methanol; acetonitrile at 60℃; for 0.5h;	77%

...Expand

: lead(II) nitrate

: 4355-11-7
1,1-cyclohexanediacetic acid

: Pb(2+)*C10H14O4(2-)

Conditions

Conditions	Yield
With pyridine In methanol; water at 20℃; for 144h;	68%

: (3,14-dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosane-N,N',N'',N''')nickel(II) dichloride dihydrate

: 4355-11-7
1,1-cyclohexanediacetic acid

: C40H70N4NiO8

Conditions

Conditions	Yield
In water for 1h; Reflux;	68%

: 1871-57-4
2-chloromethyl-3-chloroprop-1-ene

: 4355-11-7
1,1-cyclohexanediacetic acid

: 11-methylene-9,13-dioxa-spiro[5.9]pentadecane-8,14-dione

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 95℃; for 10h;	67%

: 553-26-4
4,4'-bipyridine

: nickel(II) nitrate hexahydrate

: 4355-11-7
1,1-cyclohexanediacetic acid

: 2C10H15O4(1-)*2C10H8N2*2C10H14O4(2-)*2H2O*3Ni(2+)

Conditions

Conditions	Yield
With sodium hydroxide In water at 160℃; for 72h; Autoclave;	65%

...Expand

: nickel(II) nitrate hexahydrate

: 17252-51-6
1,3-di(4-pyridyl)propane

: 4355-11-7
1,1-cyclohexanediacetic acid

: 2C10H15O4(1-)*2H2O*2C13H14N2*2C10H14O4(2-)*3Ni(2+)

Conditions

Conditions	Yield
With sodium hydroxide In water at 160℃; for 72h; Autoclave;	62%

...Expand

: 366-18-7
[2,2]bipyridinyl

: 64-17-5
ethanol

: [CuII2(O2CtBu)4(HO2CtBu)2]

: 4355-11-7
1,1-cyclohexanediacetic acid

: bis(μ-trimethylacetato-k2-O,O')bis(μ3-1,1-cyclohexanediacetato-k4-O,O,O',O')bis(2,2'-dipyridyl)tricopper(II) ethanol bisolvate

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydroxide In methanol at 40℃; for 0.5h;	60%

...Expand

: 4355-11-7
1,1-cyclohexanediacetic acid

: 7732-18-5
water

: copper(II) nitrate

: [Cu(1,1-cyclohexanediacetate)(H2O)]n

Conditions

Conditions	Yield
With sodium hydroxide In N,N-dimethyl-formamide at 90℃; for 48h;	56%

...Expand

: 4355-11-7
1,1-cyclohexanediacetic acid

: 75-36-5
acetyl chloride

: 3-acetylspiro[5.5]undecane-2,4-dione

Conditions

Conditions	Yield
Stage #1: 1,1-cyclohexanediacetic acid With aluminum (III) chloride In nitromethane at 20℃; for 1h; Inert atmosphere; Stage #2: acetyl chloride In nitromethane at 80℃; for 2h; Inert atmosphere;	55%

: 366-18-7
[2,2]bipyridinyl

: 64-17-5
ethanol

: 4355-11-7
1,1-cyclohexanediacetic acid

: [Ni9(OH)6(trimethylacetate)12(trimethylacetic acid)4]

: bis(μ-trimethylacetato-k2-O,O')bis(μ3-1,1-cyclohexanediacetato-k4O,O,O',O')bis(2,2'-dipyridyl)bis(ethanol-k1O)trinickel(II)

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydroxide In methanol at 60℃; for 1h;	50%

...Expand

: 110-86-1
pyridine

: copper(II) choride dihydrate

: potassium 1,1-cyclohexanediacetate

: 4355-11-7
1,1-cyclohexanediacetic acid

: 75-05-8
acetonitrile

: bis(η1-hydroxo)hexadecakis(μ4-1,1-cyclohexanediacetato-O,O',O',O'')hexakis(η1-aqua)octakis(η1-pyridine)hexadecacopper(II)dipotassium - acetonitrile - water - ethanol (1/1/3/1)

Conditions

Conditions	Yield
With N(C4H9)4OH In methanol; ethanol EtOH added to a mixt. of C6H10(CH2CO2H)2 and a MeOH soln. of N(C4H9)4OH,stirred at 40°C, K salt added, stirred, Cu salt added, stirred f or 5 min, C5H5N added, stirred at 50°C for 1 h; filtered, MeCN added, concd., crystd. at room temp. for 2 h, decanted, washed with EtOH (-5°C), dried in air;	48.1%

...Expand

: 110-86-1
pyridine

: copper(II) nitrate trihydrate

: potassium 1,1-cyclohexanediacetate

: 4355-11-7
1,1-cyclohexanediacetic acid

: 75-05-8
acetonitrile

: bis(η1-hydroxo)hexadecakis(μ4-1,1-cyclohexanediacetato-O,O',O',O'')hexakis(η1-aqua)octakis(η1-pyridine)hexadecacopper(II)dipotassium - acetonitrile - water - ethanol (1/1/3/1)

Conditions

Conditions	Yield
With N(C4H9)4OH In methanol; ethanol EtOH added to a mixt. of C6H10(CH2CO2H)2 and a MeOH soln. of N(C4H9)4OH,stirred at 40°C, K salt added, stirred, Cu salt added, stirred f or 5 min, C5H5N added, stirred at 50°C for 1 h; filtered, MeCN added, concd., crystd. at room temp. for 2 h, decanted, washed with EtOH (-5°C), dried in air;	48.1%

...Expand

: 112-16-3
n-dodecanoyl chloride

: 4355-11-7
1,1-cyclohexanediacetic acid

: 3-decylspiro[5.5]undecane-2,4-dione

Conditions

Conditions	Yield
Stage #1: 1,1-cyclohexanediacetic acid With aluminum (III) chloride; nitromethane at 20℃; for 1h; Inert atmosphere; Stage #2: n-dodecanoyl chloride at 80℃; for 3h; Inert atmosphere;	44%

: 66-71-7
1,10-Phenanthroline

: manganese(II) perchlorate hexahydrate

: 4355-11-7
1,1-cyclohexanediacetic acid

: 7732-18-5
water

: [Mn2(1,1-cyclohexanediacetate)(1,10-phenanthroline)4(H2O)](ClO4)2*(1,10-phenanthroline)*4H2O

Conditions

Conditions	Yield
With piperidine In methanol; water aq. soln. of C6H10(CH2COOH)2 and piperidine added dropwise to aq. soln. of Mn salt under stirring; MeOH soln. of phenanthroline added; refluxed for 3 h; left undisturbed at room temp. for 2 wk; filtered; crystals washed with cool H2O; dried in air; elem. anal.;	23%

...Expand

: 4355-11-7
1,1-cyclohexanediacetic acid

: C10H14O4(2-)*2Li(1+)

Conditions

Conditions	Yield
With lithium hydroxide monohydrate In 1,4-dioxane; methanol at 80℃; for 16h; Sealed tube;	19%

: 160431-85-6
1-(piperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea

: 4355-11-7
1,1-cyclohexanediacetic acid

: 2-(1-(2-oxo-2-(4-(3-(4-(trifluoromethyl)phenyl)ureido)piperidin-1-yl)ethyl)cyclohexyl)acetic acid

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In tetrahydrofuran at 20℃; for 12h;	18.3%

: 4355-11-7
1,1-cyclohexanediacetic acid

: N,N'-bis[3-(3-aminopropyl)methylaminonpropyl]-naphthalene-1,4,5,8-tetracarboxylic acid diimide

: 1609941-47-0
C38H50N6O6

Conditions

Conditions	Yield
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; benzotriazol-1-ol; triethylamine In chloroform at 20℃; for 120h;	14%

: 4355-11-7
1,1-cyclohexanediacetic acid

: 265323-32-8
N,N’-bis[[4-(3-aminopropyl)piperazinyl]propyl]naphthalene-1,4,5,8-tetracarboxylic acid diimide

: 1609941-48-1
C44H60N8O6

Conditions

Conditions	Yield
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; benzotriazol-1-ol; triethylamine In chloroform at 20℃; for 42h;	14%

: 4355-11-7
1,1-cyclohexanediacetic acid

: 2- (2-aminoethoxy)ethoxyundecahydrocrossodedecaborate ditetrabutylammonium salt

cation exchange resin having a counter cation of Na+: cation exchange resin having a counter cation of Na+

: N1,N1-bis[2-[2-(undecahydrocrossodedecaboranyloxy)ethoxy]ethyl]-1,1-cyclohexanediacetamide tetrasodium salt

Conditions

Conditions	Yield
Stage #1: 1,1-cyclohexanediacetic acid; 2- (2-aminoethoxy)ethoxyundecahydrocrossodedecaborate ditetrabutylammonium salt With 4-methyl-morpholine; 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride In methanol Stage #2: With cesium fluoride In methanol for 2h; Stage #3: cation exchange resin having a counter cation of Na+	14%

...Expand

1,1-Cyclohexanediacetic acid Specification

The 1,1-Cyclohexanediacetic acid, with the CAS registry number 4355-11-7,is also known as Cyclohexanediacetic acid. It belongs to the product categories of Polymer Science;Miscellaneous Reagents.Its EINECS number is 224-427-9. This chemical's molecular formula is C₁₀H₁₆O₄ and molecular weight is 200.23. What's more,Its systematic name is Cyclohexanediacetic acid.It is a white to off-white crystalline powder.The 1,1-Cyclohexanediacetic acid is irritating to eyes, respiratory system and skin.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. When you use it ,wear suitable protective clothing, gloves and eye/face protection ,do not breathe dust ,and avoid contact with skin and eyes.

Physical properties about Thioacetic acid are:
(1)ACD/LogP: 1.274; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.41; (4)ACD/LogD (pH 7.4): -3.37; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 2.43; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.495; (13)Molar Refractivity: 49.358 cm3; (14)Molar Volume: 169.28 cm3; (15)Surface Tension: 52.867000579834 dyne/cm; (16)Density: 1.183 g/cm3; (17)Flash Point: 213.34 °C; (18)Enthalpy of Vaporization: 72.132 kJ/mol; (19)Boiling Point: 405.737 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O=C(O)CC1(CCCCC1)CC(=O)O;
(2)Std. InChI:InChI=1S/C10H16O4/c11-8(12)6-10(7-9(13)14)4-2-1-3-5-10/h1-7H2,(H,11,12)(H,13,14);
(3)Std. InChIKey:YQPCHPBGAALCRT-UHFFFAOYSA-N.

Product Name

1,1-Cyclohexanediacetic acid

Synthetic route

1,1-Cyclohexanediacetic acid Specification

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