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Cas Database

Name	1-Phenylcyclopentanecarboxylic acid	EINECS	201-037-7
CAS No.	77-55-4	Density	1.162 g/cm³
PSA	37.30000	LogP	2.58300
Solubility	N/A	Melting Point	157-161 °C
Formula	C₁₂H₁₄O₂	Boiling Point	338.8 °C at 760 mmHg
Molecular Weight	190.242	Flash Point	157.1 °C
Transport Information	N/A	Appearance	Cream to grey-brown powder
Safety	37/39-26-45-36/37/39-27	Risk Codes	36/37/38-34
Molecular Structure		Hazard Symbols	Xi,C
Synonyms	1-Phenylcyclopentane-1-carboxylicacid;NSC 19462;	Article Data	31

1-Phenylcyclopentanecarboxylic acid Synthetic route

: 2-allyl-2-phenylpent-4-enoic acid

: 77-55-4
1-phenyl-1-cyclopentanecarboxylic acid

Conditions

Conditions	Yield
Stage #1: 2-allyl-2-phenylpent-4-enoic acid With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride In tetrahydrofuran at 40℃; for 0.5h; Inert atmosphere; Stage #2: With formic acid; sodium hydride In tetrahydrofuran at 80℃; for 24h; Inert atmosphere;	97%

: C13H14O2

: 77-55-4
1-phenyl-1-cyclopentanecarboxylic acid

Conditions

Conditions	Yield
With dihydrogen peroxide In water; ethyl acetate at 20℃; for 12h; Green chemistry; regioselective reaction;	92%
With dihydrogen peroxide In ethyl acetate at 20℃; regioselective reaction;	92%

: 21573-69-3
1-phenyl-1-cyclopentanecarboxaldehyde

: 77-55-4
1-phenyl-1-cyclopentanecarboxylic acid

Conditions

Conditions	Yield
With potassium sulfite; copper(l) chloride; potassium bromide In cyclohexane at 160℃; for 8h; Temperature;	91%
With silver(l) oxide

: 77-57-6
1-phenyl-1-cyclopentanecarbonitrile

: 77-55-4
1-phenyl-1-cyclopentanecarboxylic acid

Conditions

Conditions	Yield
With potassium hydroxide In ethanol for 96h; Heating;	68%
With sulfuric acid
With potassium hydroxide at 200℃;

: 908520-36-5
1-phenyl-N-(quinolin-8-yl)cyclopentanecarboxamide

: 77-55-4
1-phenyl-1-cyclopentanecarboxylic acid

Conditions

Conditions	Yield
Stage #1: 1-phenyl-N-(quinolin-8-yl)cyclopentanecarboxamide With ozone In dichloromethane at -78℃; Inert atmosphere; Stage #2: With lithium hydroxide monohydrate; dihydrogen peroxide In tetrahydrofuran; water at 20℃; for 48h; Inert atmosphere;	53%

: 110-52-1
1,4-dibromo-butane

: 16537-09-0
t-butyl phenylacetate

: 77-55-4
1-phenyl-1-cyclopentanecarboxylic acid

Conditions

Conditions	Yield
(i) aq. NaOH, Cl, DMSO, (ii) aq. H2SO4, AcOH; Multistep reaction;

: 64-18-6
formic acid

: 10487-96-4
1-phenylcyclopentanol

: 77-55-4
1-phenyl-1-cyclopentanecarboxylic acid

Conditions

Conditions	Yield
With sulfuric acid at 20 - 25℃; for 2h;

: 1-Methyl-1-(1-phenyl-cyclopentanecarbonyloxymethyl)-pyrrolidinium; chloride

: 77-55-4
1-phenyl-1-cyclopentanecarboxylic acid

Conditions

Conditions	Yield
In water at 37℃; Rate constant; pH 7.4;

: 110-52-1
1,4-dibromo-butane

: 60-29-7
diethyl ether

sodium compound of phenylacetonitrile: sodium compound of phenylacetonitrile

A: 77-55-4
1-phenyl-1-cyclopentanecarboxylic acid

B amide of 1-phenyl-cyclopentane-carboxylic acid-(1): amide of 1-phenyl-cyclopentane-carboxylic acid-(1)

Conditions

Conditions	Yield
und folgender Hydrolyse des Reaktionsprodukts mit alkoh.KOH;

: 110-52-1
1,4-dibromo-butane

sodium-compound of phenylacetonitrile: sodium-compound of phenylacetonitrile

A: 77-55-4
1-phenyl-1-cyclopentanecarboxylic acid

B 1-phenyl-cyclopentane-carboxylic acid-(1)-amide: 1-phenyl-cyclopentane-carboxylic acid-(1)-amide

Conditions

Conditions	Yield
With diethyl ether Behandeln des Reaktionsprodukts mit aethanol. Kalilauge;

1-Phenylcyclopentanecarboxylic acid Chemical Properties

IUPAC Name: 1-phenylcyclopentane-1-carboxylic acid
The MF of 1-Phenylcyclopentanecarboxylic acid(77-55-4): C₁₂H₁₄O₂
The MW of 1-Phenylcyclopentanecarboxylic acid(77-55-4): 190.24
EINECS: 201-037-7
mp: 159-161 °C(lit.)
Density: 1.162 g/cm³
Flash Point: 157.1 °C
Boiling Point: 338.8 °C at 760 mmHg
Index of Refraction: 1.568
Appearance: Cream to gray brown.
Solubility in water: Soluble
Categories: C11 to C12;Carbonyl Compounds;Carboxylic Acids
Synonyms: rarechem al bo 1511;phenylcyclopentanecarboxylic acid;akos bc-0226;1-Phenylcyclopentanecarboxylic acid;1-phenylcyclopentane-1-carboxylic acid;1-phenylcyclopentanecarboxylic acid;asischem d50957;1-Phenylcyclopentanecarboxylic acid 99%
the structure of 1-Phenylcyclopentanecarboxylic acid(77-55-4):

1-Phenylcyclopentanecarboxylic acid Safety Profile

Hazard Codes: Xi,C
Risk Statements: 36/37/38-34
36/37/38: Irritating to eyes, respiratory system and skin
34: Causes burns
Safety Statements: 37/39-26-45-36/37/39-27
37/39: Wear suitable gloves and eye/face protection
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
27: Take off immediately all contaminated clothing
WGK Germany: 3

1-Phenylcyclopentanecarboxylic acid Specification

1. First Aid Measures
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Skin:
Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Remove contaminated clothing and shoes.
Eyes:
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
2. Handling and Storage
Storage:
Store in a cool, dry place. Keep container closed when not in use.
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.

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