86688-96-2|2-(1H-Pyrrol-3-yl)acetic acid| Ambeed

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Quality Control of [ 86688-96-2 ] Purity: 95% SDS Specification

COA

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NMR

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Product Details of [ 86688-96-2 ]

CAS No. :	86688-96-2
Formula :	C₆H₇NO₂
M.W :	125.13
SMILES Code :	O=C(O)CC1=CNC=C1
MDL No. :	MFCD09800534

Safety of [ 86688-96-2 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H332-H335
Precautionary Statements:	P261-P280-P305+P351+P338

Application In Synthesis of [ 86688-96-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 86688-96-2 ]

[ 86688-96-2 ] Synthesis Path-Downstream 1~35

1
[ 33941-15-0 ]
[ 86688-96-2 ]
N-pyrrol 3-ylacetyl monoaza 18-crown-6 [ No CAS ]

References: [1]Journal of the Chemical Society. Chemical communications,1993,p. 1550 - 1552.

2
[ 109-97-7 ]
[ 104-87-0 ]
[ 86688-96-2 ]
((4Z,10Z,15Z,19Z)-5,10,15,20-Tetra-p-tolyl-22,24-dihydro-porphin-2-yl)-acetic acid [ No CAS ]

References: [1]Bulletin of the Chemical Society of Japan,1991,vol. 64,p. 2300 - 2302.

3
[ 109-97-7 ]
[ 86688-96-2 ]
[ 100-52-7 ]
((4Z,10Z,15Z,19Z)-5,10,15,20-Tetraphenyl-22,24-dihydro-porphin-2-yl)-acetic acid [ No CAS ]

References: [1]Bulletin of the Chemical Society of Japan,1991,vol. 64,p. 2300 - 2302.

4
[ 2788-84-3 ]
[ 86688-96-2 ]
[ 132081-32-4 ]

References: [1]Journal de Chimie Physique et de Physico-Chimie Biologique,1992,vol. 89,p. 1131 - 1136.

5
[ 4070-48-8 ]
[ 86688-96-2 ]
[ 132081-34-6 ]

References: [1]Journal de Chimie Physique et de Physico-Chimie Biologique,1992,vol. 89,p. 1131 - 1136.

6
[ 15411-43-5 ]
[ 86688-96-2 ]
[ 134226-30-5 ]

References: [1]Bulletin of the Chemical Society of Japan,1991,vol. 64,p. 1066 - 1068.

7
[ 1520-21-4 ]
[ 86688-96-2 ]
[ 134226-28-1 ]

References: [1]Bulletin of the Chemical Society of Japan,1991,vol. 64,p. 1066 - 1068.

8
[ 1592-20-7 ]
[ 86688-96-2 ]
[ 134226-20-3 ]

References: [1]Bulletin of the Chemical Society of Japan,1991,vol. 64,p. 1066 - 1068.

9
[ 86688-97-3 ]
[ 86688-96-2 ]

References: [1]Journal of Organic Chemistry,1983,vol. 48,p. 3214 - 3219.

10
[ 41775-76-2 ]
[ 86688-96-2 ]
N-pyrrol-3-ylacetyl monoaza 12-crown-4 [ No CAS ]

References: [1]Journal of the Chemical Society. Chemical communications,1993,p. 1550 - 1552.

11
[ 86688-96-2 ]
[ 50-00-0 ]

References: [1]Pharmazie,1990,vol. 45,p. 403 - 407.

12
[ 86688-96-2 ]
[ 24461-61-8 ]
[ 132081-36-8 ]

References: [1]Journal de Chimie Physique et de Physico-Chimie Biologique,1992,vol. 89,p. 1131 - 1136.

13
[ 771-61-9 ]
[ 86688-96-2 ]
pentafluorophenyl 1H-pyrrole-3-acetate [ No CAS ]

References: [1]Journal of the Chemical Society. Chemical communications,1995,p. 1471 - 1474.

14
[ 111-77-3 ]
[ 86688-96-2 ]
(1H-pyrrol-3-yl)acetic acid 2-(2-methoxyethoxy)ethyl ester [ No CAS ]

References: [1]Synthetic Communications,1996,vol. 26,p. 1289 - 1304.
[2]Journal of Materials Chemistry,1996,vol. 6,p. 1107 - 1112.

15
[ 1565-80-6 ]
[ 86688-96-2 ]
(1H-Pyrrol-3-yl)-acetic acid (S)-2-methyl-butyl ester [ No CAS ]

References: [1]Synthetic Communications,1996,vol. 26,p. 1289 - 1304.

16
[ 109-86-4 ]
[ 86688-96-2 ]
(1H-pyrrol-3-yl)acetic acid 2-methoxyethyl ester [ No CAS ]

References: [1]Synthetic Communications,1996,vol. 26,p. 1289 - 1304.
[2]Journal of Materials Chemistry,1996,vol. 6,p. 1107 - 1112.

17
[ 75-89-8 ]
[ 86688-96-2 ]
(1H-pyrrol-3-yl)acetic acid 2,2,2-trifluoroethyl ester [ No CAS ]

References: [1]Synthetic Communications,1996,vol. 26,p. 1289 - 1304.
[2]Journal of Materials Chemistry,1996,vol. 6,p. 1107 - 1112.

18
[ 375-01-9 ]
[ 86688-96-2 ]
(1H-pyrrol-3-yl)acetic acid 2,2,3,3,4,4,4-heptafluorobutyl ester [ No CAS ]

References: [1]Synthetic Communications,1996,vol. 26,p. 1289 - 1304.
[2]Journal of Materials Chemistry,1996,vol. 6,p. 1107 - 1112.

19
[ 86688-96-2 ]
2-(3-methylsulfanylpropylsulfanyl)ethanol [ No CAS ]
(1H-pyrrol-3-yl)acetic acid 2-(3-methylsulfanylpropylsulfanyl)ethyl ester [ No CAS ]

References: [1]Journal of Materials Chemistry,1996,vol. 6,p. 1107 - 1112.
[2]Synthetic Communications,1996,vol. 26,p. 1289 - 1304.

20
[ 138779-98-3 ]
[ 86688-96-2 ]

Yield	Reaction Conditions	Operation in experiment
94%		2.87 mL NaOH (5 N) in 2.30 mL methanol was added to N-tosyl-3-methylacetatel pyrrole 10 (260.8 mg, 0.89 mmol) and refluxed for 2 h. The methanol was removed and the residue was washed with diethyl ether and acidified by using a gradient of aqueous HCl in the range of 5 N-0.5 N to pH 3, and finally extracted four times with diethyl ether. The solution was dried over Na2SO4 anhydrous. After removal of the solvent, 3-acetic acid pyrrole 11 was obtained as a white solid (yield 105 mg, 0.84 mmol, 94%). The product was recognized by 1H NMR spectra [16] .

References: [1]European Journal of Medicinal Chemistry,2012,vol. 57,p. 391 - 397.
[2]Synthetic Communications,1996,vol. 26,p. 1289 - 1304.
[3]Macromolecules,2010,vol. 43,p. 9365 - 9370.

21
[ 137-32-6 ]
[ 86688-96-2 ]
(1H-pyrrol-3-yl)acetic acid 2-methylbutyl ester [ No CAS ]

References: [1]Journal of Materials Chemistry,1996,vol. 6,p. 1107 - 1112.

22
[ 86688-96-2 ]
[ 111-27-3 ]
(1H-pyrrol-3-yl)acetic acid hexyl ester [ No CAS ]

References: [1]Journal of Materials Chemistry,1996,vol. 6,p. 1107 - 1112.

23
[ 86688-96-2 ]
[ 530-62-1 ]
1-imidazol-1-yl-2-(1<i>H</i>-pyrrol-3-yl)-ethanone [ No CAS ]

References: [1]Journal of the Chemical Society. Perkin transactions I,1999,p. 1657 - 1664.

24
[ 186581-53-3 ]
[ 86688-96-2 ]
1-diazo-(3-pyrrolyl)-2-propanone [ No CAS ]

References: [1]Tetrahedron,2000,vol. 56,p. 8063 - 8069.

25
[ 86688-96-2 ]
4,6-dihydrocyclopenta[b]pyrrol-5(1H)-one [ No CAS ]

References: [1]Tetrahedron,2000,vol. 56,p. 8063 - 8069.

26
[ 86688-96-2 ]
Pyrrol-3-ylacetyl L-histidine methyl ester [ No CAS ]

References: [1]Journal of the Chemical Society. Perkin transactions I,1999,p. 1657 - 1664.

27
[ 106058-85-9 ]
[ 86688-96-2 ]

References: [1]Synthetic Communications,1996,vol. 26,p. 1289 - 1304.
[2]Macromolecules,2010,vol. 43,p. 9365 - 9370.
[3]European Journal of Medicinal Chemistry,2012,vol. 57,p. 391 - 397.

28
[ 86688-96-2 ]
2-((4Z,10Z,15Z,19Z)-5,10,15,20-Tetraphenyl-22,24-dihydro-porphin-2-yl)-N-(3-vinyl-phenyl)-acetamide [ No CAS ]

References: [1]Bulletin of the Chemical Society of Japan,1991,vol. 64,p. 2300 - 2302.

29
[ 86688-96-2 ]
2-((4Z,10Z,15Z,19Z)-5,10,15,20-Tetraphenyl-22,24-dihydro-porphin-2-yl)-N-(4-vinyl-phenyl)-acetamide [ No CAS ]

References: [1]Bulletin of the Chemical Society of Japan,1991,vol. 64,p. 2300 - 2302.

30
[ 86688-96-2 ]
((4Z,10Z,15Z,19Z)-5,10,15,20-Tetra-p-tolyl-22,24-dihydro-porphin-2-yl)-acetic acid 4-vinyl-benzyl ester [ No CAS ]

References: [1]Bulletin of the Chemical Society of Japan,1991,vol. 64,p. 2300 - 2302.

31
[ 86688-96-2 ]
((4Z,10Z,15Z,19Z)-5,10,15,20-Tetraphenyl-22,24-dihydro-porphin-2-yl)-acetic acid; compound with triethyl-amine [ No CAS ]

References: [1]Bulletin of the Chemical Society of Japan,1991,vol. 64,p. 2300 - 2302.

32
[ 86688-96-2 ]
((4Z,10Z,15Z,19Z)-5,10,15,20-Tetra-p-tolyl-22,24-dihydro-porphin-2-yl)-acetic acid; compound with triethyl-amine [ No CAS ]

References: [1]Bulletin of the Chemical Society of Japan,1991,vol. 64,p. 2300 - 2302.

33
[ 81453-98-7 ]
[ 86688-96-2 ]

References: [1]Journal of Organic Chemistry,1983,vol. 48,p. 3214 - 3219.

Yield	Reaction Conditions	Operation in experiment
70%		Preparation of (3-pyrrolyl)acetic acid: In a 100-cm3 flask equipped with a condenser, the above-mentioned product (10.5 mmoles) was introduced together with 30 cm3 of methanol. Next, 30 cm3 of a 5N sodium hydroxide aqueous solution was added thereto, and reaction was then carried out under reflux for 2.5 hours. Afterward, the solvent was evaporated, and the aqueous phase was washed with ethyl acetate, acidified to pH 3 with concentrated hydrochloric acid (10 cm3), and then extracted with diethyl ether. The used solvent was evaporated from the organic phase under reduced pressure in order to obtain 0.93 g of brown crystals (molecular weight=125; yield=70%). Melting point=90 C. NMR (DMSOd6) ppm 12.0 1H; 10.6 1H; 6.7 2H; 6.0 1H; 3.36 s 2H. IR (cm-1) 3383, 1696, 1416, 1399, 1340, 1279, 1212, 1071.

35
[ 877455-69-1 ]
[ 86688-96-2 ]
[ 1253640-94-6 ]

References: [1]Macromolecules,2010,vol. 43,p. 9365 - 9370.

Historical Records

Technical Information

• Arndt-Eistert Homologation • Hunsdiecker-Borodin Reaction • Passerini Reaction • Preparation of Amines • Preparation of Carboxylic Acids • Reactions of Amines • Reactions of Carboxylic Acids • Schmidt Reaction • Specialized Acylation Reagents-Ketenes • Ugi Reaction

Precautionary Statements-General
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P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
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P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
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P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
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P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
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P320
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P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
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P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
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P401
P402	Store in a dry place.
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P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
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P501	Dispose of contents/container to ...
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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
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H221	Flammable gas
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H223	Flammable aerosol
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H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
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Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
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H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
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Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
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H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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CAS No.: 86688-96-2

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CAS No.: 86688-96-2

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Product Details of [ 86688-96-2 ]

Safety of [ 86688-96-2 ]

Application In Synthesis of [ 86688-96-2 ]

[ 86688-96-2 ] Synthesis Path-Downstream 1~35

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