101208-17-7|(3AR,4S,5R,6aS)-2-oxo-4-((trityloxy)methyl)hexahydro-2H-cyclopenta[b]furan-5-yl benzoate| Ambeed

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CAS No. :	101208-17-7
Formula :	C₃₄H₃₀O₅
M.W :	518.60
SMILES Code :	O=C(O[C@H](C1)[C@H](COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)[C@](C5)([H])[C@@]1([H])OC5=O)C6=CC=CC=C6

Yield	Reaction Conditions	Operation in experiment
		Example 21 Preparation of (3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate. (3aR,4S,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(triphenylmethoxy)methyl]-2H-cyclopenta[b]furan-2-one (20 g) and dichloromethane (300 mL) are charged in to the round bottom flask at 29° C. and stirred for 10 minutes. Charcoal (5 g) is charged to the reaction mixture at 29° C. The reaction mixture is heated to 35-40° C. and maintained for 1 hour. The reaction mixture is cooled to 25-30° C., silica (40 g) is charged to the reaction mixture, and stirred for 25 minutes. The reaction mixture is filtered through the hyflow bed and washed with dichloromethane (3100 mL). The silica gel slurry is stirred in dichloromethane (2100 mL) and filtered. The combined dichloromethane filtrates are concentrated under reduced pressure at below 40° C. Acetonitrile (240 mL) and water (40 mL) are charged in to the reaction mass at 30° C. A solution of 2,3-dichloro,5,6-dicyano-1,4-benzoquinone (DDQ; 0.875 g) in acetonitrile (60 mL) is added to the reaction mixture at 30° C. and stirred for 10 minutes. The reaction mixture is heated to 60° C. and maintained for 2 hours. The reaction mixture is cooled to 25-30° C. Water (450 mL) is added to the reaction mass at 30° C. and stirred for 1 hour. The reaction mixture is cooled to 15-20° C. and stirred for 1 hour. The reaction mixture is filtered and washed with water (40 mL). The resultant filtrate is concentrated at below 50° C. under reduced pressure up to reaction mixture volume reaches to 500 mL The reaction mass is cooled to 25-30° C. Sodium chloride (10 g) is added to the reaction mass at 30° C. and stirred for 10 minutes. Ethyl acetate (1200 mL; 2100 mL) is added to the reaction mass at 30° C. and stirred for 10 minutes. The combined organic layer is washed with 5percent sodium bicarbonate solution (200 mL) and 1percent brine solution (200 mL). The aqueous layer is extracted with ethyl acetate (100 mL). The organic layer is washed with 1percent brine solution (100 mL). The combined organic layer is charged in to round bottom flask at 30° C. Norit supra charcoal (5 g) is charged to the reaction mixture at 30° C. The reaction mixture is heated to 50-60° C. and maintained for 1 hour. The reaction mixture is cooled to 25-35° C. and filtered through the hyflow bed and washed with ethyl acetate (60 mL). The resultant filtrate is concentrated at below 50° C. under reduced pressure. Ethyl acetate (60 mL) is charged to the reaction mass and heated to 50° C. Hexane (240 mL) is added slowly to the reaction solution at 50° C. The reaction mass is cooled to 25-30° C. and maintained for 1 hour. The obtained solid is collected by filtration, washed with a mixture of ethyl acetate and hexane (60 mL; 1:4), and dried under reduced pressure at 55° C. for 6 hours to afford 7.4 of the title compound. Purity by HPLC: 99.9percent.
6.01 kg	With hydrogenchloride; In water; acetonitrile; at 45℃; for 3.5h;Industrial scale;	Add 30L of pyridine to the reactor with the filter element at the bottom, add (a) 4kg (leq) of the Corey lactone diol while stirring, add 7.13kg (1. leq) of triphenylchloromethane, and control the temperature at 20°C for 12h to complete In the reaction, 2.82 L (1.05 eq) of benzoyl chloride was added dropwise and the reaction was allowed to proceed at a controlled temperature of 30° C. for 4.5 h to complete the reaction; 44 L of pure water was added to the reaction vessel and stirred for 2 h to obtain a suspension. Nitrogen gas was introduced into the reaction vessel and passed through the reactor. The bottom of the filter will be suspended hydraulic filter, and then add isopropanol 40L to the reaction vessel, heated to reflux for 1h, the liquid pressure filter to obtain a solid powder; add 60L acetonitrile to the reaction vessel, add 30L of 3mol/L hydrochloric acid aqueous solution dropwise, control Temperature 45 ° C reaction 3.5h to complete reaction, the reaction system was cooled to 10 ° C, was added saturated aqueous sodium carbonate and neutralization reaction to RhoEta = 7; the solvent acetonitrile in the reaction vessel was distilled off, and the resulting crude product was obtained by pressure filtration; 40K n-propyl ether was added to the reaction vessel, and the mixture was heated to reflux for 3 h, and then pressed and dried to give the product (-) Corey lactone benzoate, 6.4 Kg, a yield of 93.59percent, and a purity of 99.03percent.

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
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:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
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.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
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
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
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
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
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
H290	May be corrosive to metals
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
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
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
H411	Toxic to aquatic life with long-lasting effects
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.: 101208-17-7

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CAS No.: 101208-17-7

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