[ CAS No. 85416-73-5 ] {[proInfo.proName]}

Name: 85416-73-5|(S)-4-(3-(Cyclopentyloxy)-4-methoxyphenyl)pyrrolidin-2-one|98%
Brand: Ambeed
SKU: A107169
Price: 6.0 USD
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Cat. No.: {[proInfo.prAm]}

2D 3D

Structure of 85416-73-5 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 85416-73-5 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 85416-73-5 ]

SDS Specification

Alternatived Products of [ 85416-73-5 ]

Product Details of [ 85416-73-5 ]

CAS No. :	85416-73-5	MDL No. :
Formula :	C₁₆H₂₁NO₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	HJORMJIFDVBMOB-GFCCVEGCSA-N
M.W :	275.34	Pubchem ID :	158758
Synonyms :	S-(+)-Rolipram;(+)-Rolipram;(S)-Rolipram	Chemical Name :	(S)-4-(3-(Cyclopentyloxy)-4-methoxyphenyl)pyrrolidin-2-one

Calculated chemistry of [ 85416-73-5 ]

Physicochemical Properties

Num. heavy atoms :	20
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.56
Num. rotatable bonds :	4
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	80.73
TPSA :	47.56 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.41 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.75
Log Po/w (XLOGP3) :	2.21
Log Po/w (WLOGP) :	2.24
Log Po/w (MLOGP) :	1.91
Log Po/w (SILICOS-IT) :	3.11
Consensus Log Po/w :	2.44

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.9
Solubility :	0.349 mg/ml ; 0.00127 mol/l
Class :	Soluble
Log S (Ali) :	-2.84
Solubility :	0.395 mg/ml ; 0.00143 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.24
Solubility :	0.0158 mg/ml ; 0.0000574 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	2.7

Safety of [ 85416-73-5 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 85416-73-5 ]

* 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.

Upstream synthesis route of [ 85416-73-5 ]
Downstream synthetic route of [ 85416-73-5 ]

[ 85416-73-5 ] Synthesis Path-Upstream 1~39

1
[ 1001860-35-0 ]
[ 85416-73-5 ]

Reference： [1] Angewandte Chemie - International Edition, 2007, vol. 46, # 44, p. 8431 - 8435

2
[ 959799-63-4 ]
[ 85416-73-5 ]

Yield	Reaction Conditions	Operation in experiment
78%	Stage #1: With hydrazine hydrate In tetrahydrofuran for 24 h; Inert atmosphere Stage #2: With triethylamine In toluene at 110℃; for 20 h; Inert atmosphere	To a solution of 3an(0.2 mmol) in THF (10 mL) was added hydrazine hydrate (0.5 mL) and the solution was stirred for 24 h. After complete consumption of the starting material, the reaction mixture was extracted with dichloromethane and concentrated in vacuum, the residue was dissolved in a mixture of Et3N (0.6 mL) and toluene (3 mL) and the resultant solution heated at 110 °C for 20 h. After cooling to rt, the solvents were evaporated under reduced pressure. The residue was purified by flash chromatography (silica gel, ethyl acetate) to yield colorless crystals (78percent).

Reference： [1] Tetrahedron Letters, 2011, vol. 52, # 7, p. 830 - 833

3
[ 67387-76-2 ]
[ 85416-73-5 ]

Reference： [1] Journal of the American Chemical Society, 2002, vol. 124, # 44, p. 13097 - 13105
[2] Tetrahedron Asymmetry, 2013, vol. 24, # 4, p. 217 - 222
[3] Angewandte Chemie - International Edition, 2014, vol. 53, # 33, p. 8687 - 8690[4] Angew. Chem., 2014, vol. 126, # 33, p. 8831 - 8834,4
[5] Nature, 2015, vol. 520, # 7547, p. 329 - 332
[6] Tetrahedron Letters, 2017, vol. 58, # 46, p. 4333 - 4335

4
[ 141332-74-3 ]
[ 108-59-8 ]
[ 85416-75-7 ]
[ 85416-73-5 ]

Yield	Reaction Conditions	Operation in experiment
87 % ee	With C₃₃H₃₂F₆N₄O₃; sodium chloride In water; toluene at 20℃; for 24 h;	Thechiral catalyst 0.10 mmol shown in terms of the malonate 5.0 mmol shown interms of 3 - (cyclopentoxy) -4- methoxy phenyl night shown in terms of thechemical formula 2 in the alkyne 1.0 mmol, and the chemical formula 7, and thechemical formula 6 was stirred in the mixed solvent of the saturation sodiumchloride aqueous solution (saturated sodium chloride aqueous solution) 2.0 mLdepartment toluene 0.2 mL of 20 for 24 hours. Thereaction mixture the solvent was removed using the dichloromethane(CH(sub)2(/sub)Cl(sub)2(/sub)) solvent after doing the extraction under thereduced pressure and the product was separated after the stirring end using thecolumn chromatography and the chirality (R) - rolipram precursor was obtained(95percent yield). (R)- , (enantiomeric excess) (CHIRALCEL AD-H, 90:10,:, 210 nm, 1.0 ml/, t()=19.7, t()=42.2, 87percent ee, (R)-form). Themanufactured chirality (R) - rolipram precursor the enantiomeric excess wasmeasured using the high effectiveness liquid chromatography (the CHIRALCELAD-H, 90:10, hexane isopropyl alcohol, 210 nm, 1.0 ml /, T (major product)=19.7 minute, T (by-product) =42.2 minute, 87percent ee, (R) -form).

Reference： [1] Patent: KR101548886, 2015, B1, . Location in patent: Paragraph 0072-0074

5
[ 137-43-9 ]
[ 85416-73-5 ]

Reference： [1] Tetrahedron, 2006, vol. 62, # 20, p. 4907 - 4916
[2] Journal of the American Chemical Society, 2002, vol. 124, # 44, p. 13097 - 13105

6
[ 621-59-0 ]
[ 85416-73-5 ]

Reference： [1] Journal of the American Chemical Society, 2002, vol. 124, # 44, p. 13097 - 13105
[2] Tetrahedron Letters, 2017, vol. 58, # 46, p. 4333 - 4335

7
[ 133332-47-5 ]
[ 85416-73-5 ]

Reference： [1] Journal of the American Chemical Society, 2002, vol. 124, # 44, p. 13097 - 13105
[2] Tetrahedron Letters, 2017, vol. 58, # 46, p. 4333 - 4335

8
[ 1259130-31-8 ]
[ 85416-73-5 ]

Reference： [1] Chemistry - An Asian Journal, 2010, vol. 5, # 11, p. 2351 - 2354

9
[ 478919-15-2 ]
[ 85416-73-5 ]

Reference： [1] Journal of the American Chemical Society, 2002, vol. 124, # 44, p. 13097 - 13105

10
[ 894421-61-5 ]
[ 85416-75-7 ]
[ 85416-73-5 ]

Reference： [1] Tetrahedron, 2006, vol. 62, # 20, p. 4907 - 4916

11
[ 141099-44-7 ]
[ 85416-73-5 ]

Reference： [1] Journal of Medicinal Chemistry, 1993, vol. 36, # 22, p. 3274 - 3277

12
[ 141332-74-3 ]
[ 85416-73-5 ]

Reference： [1] ACS Catalysis, 2015, vol. 5, # 6, p. 3613 - 3619

13
[ 146426-63-3 ]
[ 85416-75-7 ]
[ 85416-73-5 ]

Reference： [1] Chemistry - A European Journal, 2001, vol. 7, # 16, p. 3533 - 3544

14
[ 1556-18-9 ]
[ 132683-31-9 ]
[ 85416-73-5 ]

Reference： [1] Journal of Medicinal Chemistry, 2011, vol. 54, # 9, p. 3331 - 3347

15
[ 894421-52-4 ]
[ 85416-73-5 ]

Reference： [1] Tetrahedron, 2006, vol. 62, # 20, p. 4907 - 4916

16
[ 894421-55-7 ]
[ 85416-73-5 ]

Reference： [1] Tetrahedron, 2006, vol. 62, # 20, p. 4907 - 4916

17
[ 613-70-7 ]
[ 85416-73-5 ]

Reference： [1] Tetrahedron, 2006, vol. 62, # 20, p. 4907 - 4916

18
[ 66037-04-5 ]
[ 85416-73-5 ]

Reference： [1] Tetrahedron, 2006, vol. 62, # 20, p. 4907 - 4916

19
[ 37942-01-1 ]
[ 85416-73-5 ]

Reference： [1] Tetrahedron, 2006, vol. 62, # 20, p. 4907 - 4916

20
[ 90-05-1 ]
[ 85416-73-5 ]

Reference： [1] Tetrahedron, 2006, vol. 62, # 20, p. 4907 - 4916

21
[ 138509-45-2 ]
[ 85416-73-5 ]

Reference： [1] Tetrahedron, 2006, vol. 62, # 20, p. 4907 - 4916

22
[ 159613-21-5 ]
[ 85416-73-5 ]

Reference： [1] Tetrahedron, 2006, vol. 62, # 20, p. 4907 - 4916

23
[ 141099-45-8 ]
[ 85416-75-7 ]
[ 85416-73-5 ]

Reference： [1] Journal of Medicinal Chemistry, 1993, vol. 36, # 22, p. 3274 - 3277

24
[ 854759-44-7 ]
[ 85416-75-7 ]
[ 85416-73-5 ]

Reference： [1] Tetrahedron Asymmetry, 2005, vol. 16, # 9, p. 1693 - 1698

25
[ 360042-78-0 ]
[ 85416-73-5 ]

Reference： [1] Journal of Organic Chemistry, 2005, vol. 70, # 3, p. 1050 - 1053

26
[ 844873-53-6 ]
[ 85416-73-5 ]

Reference： [1] Journal of Organic Chemistry, 2005, vol. 70, # 3, p. 1050 - 1053

27
[ 854759-43-6 ]
[ 85416-73-5 ]

Reference： [1] Tetrahedron Asymmetry, 2005, vol. 16, # 9, p. 1693 - 1698

28
[ 121174-59-2 ]
[ 85416-73-5 ]

Reference： [1] Journal of Medicinal Chemistry, 2011, vol. 54, # 9, p. 3331 - 3347

29
[ 1295626-42-4 ]
[ 85416-73-5 ]

Reference： [1] Journal of Medicinal Chemistry, 2011, vol. 54, # 9, p. 3331 - 3347

30
[ 1295626-43-5 ]
[ 85416-73-5 ]

Reference： [1] Journal of Medicinal Chemistry, 2011, vol. 54, # 9, p. 3331 - 3347

31
[ 1295626-62-8 ]
[ 85416-73-5 ]

Reference： [1] Journal of Medicinal Chemistry, 2011, vol. 54, # 9, p. 3331 - 3347

32
[ 121191-46-6 ]
[ 85416-73-5 ]

Reference： [1] Journal of Medicinal Chemistry, 2011, vol. 54, # 9, p. 3331 - 3347

33
[ 6346-05-0 ]
[ 85416-73-5 ]

Reference： [1] Journal of Medicinal Chemistry, 2011, vol. 54, # 9, p. 3331 - 3347

34
[ 172970-89-7 ]
[ 85416-73-5 ]

Reference： [1] Tetrahedron Asymmetry, 2013, vol. 24, # 4, p. 217 - 222

35
[ 1427298-74-5 ]
[ 85416-73-5 ]

Reference： [1] Tetrahedron Asymmetry, 2013, vol. 24, # 4, p. 217 - 222

36
[ 1427298-78-9 ]
[ 85416-73-5 ]

Reference： [1] Tetrahedron Asymmetry, 2013, vol. 24, # 4, p. 217 - 222

37
[ 1427298-73-4 ]
[ 85416-73-5 ]

Reference： [1] Tetrahedron Asymmetry, 2013, vol. 24, # 4, p. 217 - 222

38
[ 1047973-99-8 ]
[ 85416-73-5 ]

Reference： [1] Tetrahedron Letters, 2017, vol. 58, # 46, p. 4333 - 4335

39
[ 61413-54-5 ]
[ 85416-75-7 ]
[ 85416-73-5 ]

Reference： [1] Journal of Organic Chemistry, 2005, vol. 70, # 3, p. 1050 - 1053

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P314	Get medical advice/attention if you feel unwell.
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P320
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P321
P322
P330	Rinse mouth.
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P334	Immerse in cool water/wrap n wet bandages.
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P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
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P342	If experiencing respiratory symptoms:
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P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
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P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
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P372	Explosion risk in case of fire.
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P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
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P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
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P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
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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.
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Yield	Reaction Conditions	Operation in experiment
83%	With trichlorosilane; N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 0.166667h; Flow reactor;
72%	With hydrogen In ethanol at 20℃;

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

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 6 steps 1.1: 89 percent / K₂CO₃ / dimethylformamide / 12 h / 50 °C 2.1: n-BuLi / diethyl ether; hexane / 1 h / -78 °C 2.2: diethyl ether; hexane / 1 h / -78 °C 3.1: 88 percent / Na₂CO₃; O₂ / Pd(OAc)2 / dimethylformamide / 12 h / 50 °C / 760 Torr 4.1: 90 percent / NBS; AIBN / CCl₄ / 10 h / Heating 5.1: 99 percent / NaN₃ / ethanol; H₂O / 8 h / Heating 6.1: NaBH₄; [4(S)-Ph-oxazolidin-2-ylidene][4(S)-Ph-2-oxazolin-2-yl](CN)C / CoCl₂*6H₂O / ethanol; dimethylformamide / 24 h / 25 °C
	Multi-step reaction with 6 steps 1: 97 percent / K₂CO₃ / dimethylformamide / 100 °C 2: 90 percent / NH₄OAc; acetic acid / 2 h / 90 °C 3: 94 percent / 1,1-bis(3aS,8aR-dihydroindeno[1,2-d]oxazol-2-yl)cyclopropane; Mg(OTf)2*4H₂O; N-methylmorpholine / 4A molecular sieves / CHCl₃ / 20 °C 4: H₂; H₂PO₄ / Raney-Ni / tetrahydrofuran / 50 - 60 °C / 2068.65 Torr 5: aq. NaOH / ethanol; tetrahydrofuran 6: TsOH / isopropyl acetate / Heating

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 6 steps 1.1: 89 percent / K₂CO₃ / dimethylformamide / 12 h / 50 °C 2.1: n-BuLi / diethyl ether; hexane / 1 h / -78 °C 2.2: diethyl ether; hexane / 1 h / -78 °C 3.1: 88 percent / Na₂CO₃; O₂ / Pd(OAc)2 / dimethylformamide / 12 h / 50 °C / 760 Torr 4.1: 90 percent / NBS; AIBN / CCl₄ / 10 h / Heating 5.1: 99 percent / NaN₃ / ethanol; H₂O / 8 h / Heating 6.1: NaBH₄; [4(S)-Ph-oxazolidin-2-ylidene][4(S)-Ph-2-oxazolin-2-yl](CN)C / CoCl₂*6H₂O / ethanol; dimethylformamide / 24 h / 25 °C
	Multi-step reaction with 5 steps 1: potassium carbonate; tetrabutylammomium bromide / tetrahydrofuran / 18 h / 75 °C 2: potassium carbonate; tetrabutylammonium acetate; potassium chloride; palladium diacetate / N,N-dimethyl-formamide / 18 h / 90 °C 3: acetic acid / methanol / 0.25 h / 65 °C / Flow reactor 4: dihydrogen peroxide; sulfuric acid / 0.33 h / 100 °C / Flow reactor 5: N-ethyl-N,N-diisopropylamine; trichlorosilane / acetonitrile / 0.17 h / 20 °C / 3750.38 Torr / Flow reactor

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 9 steps 1.1: 97 percent / H₂SO₄ / 6 h / 100 °C 2.1: 99 percent / NBS / acetonitrile / 10 h / 60 °C 3.1: 95 percent / NaHCO₃ / methanol / 3 h / Heating 4.1: 89 percent / K₂CO₃ / dimethylformamide / 12 h / 50 °C 5.1: n-BuLi / diethyl ether; hexane / 1 h / -78 °C 5.2: diethyl ether; hexane / 1 h / -78 °C 6.1: 88 percent / Na₂CO₃; O₂ / Pd(OAc)2 / dimethylformamide / 12 h / 50 °C / 760 Torr 7.1: 90 percent / NBS; AIBN / CCl₄ / 10 h / Heating 8.1: 99 percent / NaN₃ / ethanol; H₂O / 8 h / Heating 9.1: NaBH₄; [4(S)-Ph-oxazolidin-2-ylidene][4(S)-Ph-2-oxazolin-2-yl](CN)C / CoCl₂*6H₂O / ethanol; dimethylformamide / 24 h / 25 °C
	Multi-step reaction with 6 steps 1.1: trifluoroacetic anhydride / acetonitrile / 0.08 h 1.2: 0.75 h 1.3: 24 h / 20 °C 2.1: potassium carbonate; tetrabutylammomium bromide / tetrahydrofuran / 18 h / 75 °C 3.1: potassium carbonate; tetrabutylammonium acetate; potassium chloride; palladium diacetate / N,N-dimethyl-formamide / 18 h / 90 °C 4.1: acetic acid / methanol / 0.25 h / 65 °C / Flow reactor 5.1: dihydrogen peroxide; sulfuric acid / 0.33 h / 100 °C / Flow reactor 6.1: N-ethyl-N,N-diisopropylamine; trichlorosilane / acetonitrile / 0.17 h / 20 °C / 3750.38 Torr / Flow reactor

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 5 steps 1.1: n-BuLi / diethyl ether; hexane / 1 h / -78 °C 1.2: diethyl ether; hexane / 1 h / -78 °C 2.1: 88 percent / Na₂CO₃; O₂ / Pd(OAc)2 / dimethylformamide / 12 h / 50 °C / 760 Torr 3.1: 90 percent / NBS; AIBN / CCl₄ / 10 h / Heating 4.1: 99 percent / NaN₃ / ethanol; H₂O / 8 h / Heating 5.1: NaBH₄; [4(S)-Ph-oxazolidin-2-ylidene][4(S)-Ph-2-oxazolin-2-yl](CN)C / CoCl₂*6H₂O / ethanol; dimethylformamide / 24 h / 25 °C
	Multi-step reaction with 4 steps 1: potassium carbonate; tetrabutylammonium acetate; potassium chloride; palladium diacetate / N,N-dimethyl-formamide / 18 h / 90 °C 2: acetic acid / methanol / 0.25 h / 65 °C / Flow reactor 3: dihydrogen peroxide; sulfuric acid / 0.33 h / 100 °C / Flow reactor 4: N-ethyl-N,N-diisopropylamine; trichlorosilane / acetonitrile / 0.17 h / 20 °C / 3750.38 Torr / Flow reactor

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 6 steps 1: 97 percent / K₂CO₃ / dimethylformamide / 100 °C 2: 90 percent / NH₄OAc; acetic acid / 2 h / 90 °C 3: 94 percent / 1,1-bis(3aS,8aR-dihydroindeno[1,2-d]oxazol-2-yl)cyclopropane; Mg(OTf)2*4H₂O; N-methylmorpholine / 4A molecular sieves / CHCl₃ / 20 °C 4: H₂; H₂PO₄ / Raney-Ni / tetrahydrofuran / 50 - 60 °C / 2068.65 Torr 5: aq. NaOH / ethanol; tetrahydrofuran 6: TsOH / isopropyl acetate / Heating
	Multi-step reaction with 6 steps 1: potassium carbonate / N,N-dimethyl-formamide / 30 h / 100 °C 2: ammonium acetate / N,N-dimethyl-formamide / 24 h / 130 °C 3: (2S)-2-{diphenyl[(trimethylsilyl)oxy]methyl}pyrrolidine / 1,4-dioxane / 18 h / 4 - 20 °C / Sealed tube 4: oxone / N,N-dimethyl-formamide / 12 h / 20 °C 5: chloro-trimethyl-silane / 12 h / 20 °C 6: 10% Pd/C; hydrogen; triethylamine / ethyl acetate / 12 h / 20 °C / 760.05 Torr

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 5 steps 1: 90 percent / NH₄OAc; acetic acid / 2 h / 90 °C 2: 94 percent / 1,1-bis(3aS,8aR-dihydroindeno[1,2-d]oxazol-2-yl)cyclopropane; Mg(OTf)2*4H₂O; N-methylmorpholine / 4A molecular sieves / CHCl₃ / 20 °C 3: H₂; H₂PO₄ / Raney-Ni / tetrahydrofuran / 50 - 60 °C / 2068.65 Torr 4: aq. NaOH / ethanol; tetrahydrofuran 5: TsOH / isopropyl acetate / Heating
	Multi-step reaction with 6 steps 1: piperidine / ethanol / 48 h / 20 °C / Inert atmosphere 2: potassium hydroxide; water / ethanol / 96 h / 20 °C / Inert atmosphere 3: acetic anhydride / 0.5 h / 110 °C / Inert atmosphere 4: quinindine / toluene / 168 h / -30 °C / Inert atmosphere 5: triethylamine; diphenyl phosphoryl azide / toluene / 0.5 h / Inert atmosphere; Heating 6: toluene / 110 °C / Inert atmosphere
	Multi-step reaction with 2 steps 1: silica-supported 9-urea-(9-deoxy)epi-6-propylcarbamatecinchonidine catalyst / 1,4-dioxane / 36 h / 70 °C / Green chemistry 2: Pd/C; hydrogen / o-xylene / 18 h / 130 °C / 7500.75 Torr

	Multi-step reaction with 2 steps 1.1: calcium chloride / toluene / 50 - 75 °C / Flow reactor 2.1: triethylamine; calcium(II) chloride dihydrate / toluene / 0 °C / Flow reactor 2.2: polysilane-supported palladium/carbon catalyst (Pd/DMPSi-C, where DMPSi is dimethylpolysilane) / 100 °C / 760.05 Torr / Flow reactor 2.3: silica-supported carboxylic acid (Si-COOH; Chromatorex ACD) / 120 °C / Flow reactor
	Multi-step reaction with 5 steps 1: ammonium acetate / N,N-dimethyl-formamide / 24 h / 130 °C 2: (2S)-2-{diphenyl[(trimethylsilyl)oxy]methyl}pyrrolidine / 1,4-dioxane / 18 h / 4 - 20 °C / Sealed tube 3: oxone / N,N-dimethyl-formamide / 12 h / 20 °C 4: chloro-trimethyl-silane / 12 h / 20 °C 5: 10% Pd/C; hydrogen; triethylamine / ethyl acetate / 12 h / 20 °C / 760.05 Torr
	Multi-step reaction with 4 steps 1.1: dichloromethane / 20 °C 2.1: C₂₄H₂₆N₂O₃; lithium trifluoromethanesulfonate; 1,8-diazabicyclo[5.4.0]undec-7-ene / acetonitrile / 48 h / 40 °C 3.1: C₂₄H₂₆N₂O₃; lithium trifluoromethanesulfonate; 1,8-diazabicyclo[5.4.0]undec-7-ene / acetonitrile / 48 h / 40 °C 3.2: 12 h / 60 °C 4.1: 2-mercaptopyridine N-oxide; isobutyl chloroformate; triethylamine / tetrahydrofuran / 1 h / -15 °C / Darkness

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: 94 percent / 1,1-bis(3aS,8aR-dihydroindeno[1,2-d]oxazol-2-yl)cyclopropane; Mg(OTf)2*4H₂O; N-methylmorpholine / 4A molecular sieves / CHCl₃ / 20 °C 2: H₂; H₂PO₄ / Raney-Ni / tetrahydrofuran / 50 - 60 °C / 2068.65 Torr 3: aq. NaOH / ethanol; tetrahydrofuran 4: TsOH / isopropyl acetate / Heating
	Multi-step reaction with 4 steps 1: (2S)-2-{diphenyl[(trimethylsilyl)oxy]methyl}pyrrolidine / 1,4-dioxane / 18 h / 4 - 20 °C / Sealed tube 2: oxone / N,N-dimethyl-formamide / 12 h / 20 °C 3: chloro-trimethyl-silane / 12 h / 20 °C 4: 10% Pd/C; hydrogen; triethylamine / ethyl acetate / 12 h / 20 °C / 760.05 Torr

[ CAS No. 85416-73-5 ] {[proInfo.proName]}

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