[ CAS No. 141642-82-2 ] {[proInfo.proName]}

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Quality Control of [ 141642-82-2 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 141642-82-2 ]

SDS Specification

Alternatived Products of [ 141642-82-2 ]

Product Details of [ 141642-82-2 ]

CAS No. :	141642-82-2	MDL No. :	MFCD03788451
Formula :	C₁₄H₂₃NO₅	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	FGOJCPKOOGIRPA-UHFFFAOYSA-N
M.W :	285.34	Pubchem ID :	4436570
Synonyms :

Safety of [ 141642-82-2 ]

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

Application In Synthesis of [ 141642-82-2 ]

* 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.

Upstream synthesis route of [ 141642-82-2 ]
Downstream synthetic route of [ 141642-82-2 ]

[ 141642-82-2 ] Synthesis Path-Upstream 1~1

1
[ 141642-82-2 ]
[ 912444-89-4 ]

Reference： [1] Angewandte Chemie - International Edition, 2013, vol. 52, # 23, p. 6072 - 6075[2] Angew. Chem., 2013, vol. 125, # 23, p. 6188 - 6191
[3] Patent: US2017/29430, 2017, A1,
[4] Patent: US2018/258065, 2018, A1,
[5] Tetrahedron Letters, 2018, vol. 59, # 52, p. 4611 - 4615

[ 141642-82-2 ] Synthesis Path-Downstream 1~1

1
[ 57297-29-7 ]
[ 141642-82-2 ]
tert-butyl 2-cyclopropyl-4-hydroxy-5,6,8,9-tetrahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
72%	With sodium ethanolate; In ethanol; at 80℃; for 2h;	Example 1; Preparation of tert-butyl 2-cvclopropyl-4-(3,3,3-trifluoropropoxyl-5,6,8,9-tetrahydro- 7H-pyrimido[4,5-d]azepine-7-carboxylate; [052] Step 1; Preparation of tert-butyl 2-cvclopropyl-4-hvdroxy-5,6,8,9-tetrahydro-7H - pyrimido[4,5-d]azepine-7-carboxylate; [053] Commercially available 1- tert-butyl 4-ethyl 5-oxoazepane-1 ,4-dicarboxylate (6.0 g, 21.0 mmol) and <strong>[57297-29-7]cyclopropanecarboximidamide hydrochloride</strong> (2.54 g, 21.0 mmol) were combined and dissolved in ethyl alcohol (21 mL ). Sodium ethoxide (21 weight percent solution in ethyl alcohol) (7.85 mL , 21.0 mmol) was added, and the mixture was heated at 80°C for 2 h. The contents of the reaction flask were cooled to 0°C and filtered. The solids were washed with cold methanol and dried in a 40°C vacuum oven to provide the title compound as an off-white solid (4.6 g, 72percent).

Reference： [1]Patent: WO2006/44762,2006,A2 .Location in patent: Page/Page column 15

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Technical Information

? Acyl Group Substitution ? Baeyer-Villiger Oxidation ? Barbier Coupling Reaction ? Baylis-Hillman Reaction ? Bouveault-Blanc Reduction ? Bucherer-Bergs Reaction ? Catalytic Hydrogenation ? Chan-Lam Coupling Reaction ? Clemmensen Reduction ? Complex Metal Hydride Reductions ? Corey-Bakshi-Shibata (CBS) Reduction ? Corey-Chaykovsky Reaction ? Ester Cleavage ? Fischer Indole Synthesis ? Grignard Reaction ? Henry Nitroaldol Reaction ? Horner-Wadsworth-Emmons Reaction ? Hydride Reductions ? Lawesson's Reagent ? Leuckart-Wallach Reaction ? McMurry Coupling ? Meerwein-Ponndorf-Verley Reduction ? Passerini Reaction ? Paternò-Büchi Reaction ? Petasis Reaction ? Peterson Olefination ? Pictet-Spengler Tetrahydroisoquinoline Synthesis ? Preparation of Aldehydes and Ketones ? Preparation of Amines ? Prins Reaction ? Reactions of Aldehydes and Ketones ? Reactions of Amines ? Reactions with Organometallic Reagents ? Reformatsky Reaction ? Robinson Annulation ? Schlosser Modification of the Wittig Reaction ? Schmidt Reaction ? Specialized Acylation Reagents-Carbodiimides and Related Reagents ? Specialized Acylation Reagents-Ketenes ? Stobbe Condensation ? Tebbe Olefination ? Ugi Reaction ? Wittig Reaction ? Wolff-Kishner Reduction

Historical Records

Related Functional Groups of
[ 141642-82-2 ]

Amides

[ 98977-37-8 ]

1-tert-Butyl 3-ethyl 4-oxoazepane-1,3-dicarboxylate

Similarity: 0.97

[ 98977-34-5 ]

1-tert-Butyl 3-ethyl 4-oxopiperidine-1,3-dicarboxylate

Similarity: 0.95

[ 1373029-03-8 ]

3-tert-Butyl 1-ethyl 9-oxo-3-azabicyclo[3.3.1]nonane-1,3-dicarboxylate

Similarity: 0.95

[ 1956365-47-1 ]

1-tert-Butyl 3-ethyl 5,5-dimethyl-4-oxopiperidine-1,3-dicarboxylate

Similarity: 0.95

[ 889955-52-6 ]

tert-Butyl 3-(3-ethoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate

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Esters

[ 98977-37-8 ]

1-tert-Butyl 3-ethyl 4-oxoazepane-1,3-dicarboxylate

Similarity: 0.97

[ 98977-34-5 ]

1-tert-Butyl 3-ethyl 4-oxopiperidine-1,3-dicarboxylate

Similarity: 0.95

[ 1373029-03-8 ]

3-tert-Butyl 1-ethyl 9-oxo-3-azabicyclo[3.3.1]nonane-1,3-dicarboxylate

Similarity: 0.95

[ 1956365-47-1 ]

1-tert-Butyl 3-ethyl 5,5-dimethyl-4-oxopiperidine-1,3-dicarboxylate

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[ 889955-52-6 ]

tert-Butyl 3-(3-ethoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate

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Ketones

[ 98977-37-8 ]

1-tert-Butyl 3-ethyl 4-oxoazepane-1,3-dicarboxylate

Similarity: 0.97

[ 98977-34-5 ]

1-tert-Butyl 3-ethyl 4-oxopiperidine-1,3-dicarboxylate

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[ 1373029-03-8 ]

3-tert-Butyl 1-ethyl 9-oxo-3-azabicyclo[3.3.1]nonane-1,3-dicarboxylate

Similarity: 0.95

[ 1956365-47-1 ]

1-tert-Butyl 3-ethyl 5,5-dimethyl-4-oxopiperidine-1,3-dicarboxylate

Similarity: 0.95

[ 889955-52-6 ]

tert-Butyl 3-(3-ethoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate

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Related Parent Nucleus of
[ 141642-82-2 ]

Other Aliphatic Heterocycles

[ 98977-37-8 ]

1-tert-Butyl 3-ethyl 4-oxoazepane-1,3-dicarboxylate

Similarity: 0.97

[ 1373029-03-8 ]

3-tert-Butyl 1-ethyl 9-oxo-3-azabicyclo[3.3.1]nonane-1,3-dicarboxylate

Similarity: 0.95

Ghs Precautionary Statements

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P321
P322
P330	Rinse mouth.
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P342	If experiencing respiratory symptoms:
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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.
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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.
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P410 + P403	Protect from sunlight. Store in a well-ventilated place.
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H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
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H400	Very toxic to aquatic life
H401	Toxic to aquatic life
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H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
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[ CAS No. 141642-82-2 ] {[proInfo.proName]}

Quality Control of [ 141642-82-2 ]

Related Doc. of [ 141642-82-2 ]

Product Details of [ 141642-82-2 ]

Safety of [ 141642-82-2 ]

Application In Synthesis of [ 141642-82-2 ]

[ 141642-82-2 ] Synthesis Path-Upstream 1~1

[ 141642-82-2 ] Synthesis Path-Downstream 1~1

Technical Information

Related Functional Groups of [ 141642-82-2 ]

Amides

Esters

Ketones

Related Parent Nucleus of [ 141642-82-2 ]

Other Aliphatic Heterocycles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 141642-82-2 ]

Related Parent Nucleus of
[ 141642-82-2 ]