141871-02-5|2-((tert-Butoxycarbonyl)(methyl)amino)benzoic acid| Ambeed

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Quality Control of [ 141871-02-5 ] Purity: 98% SDS Specification

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Product Details of [ 141871-02-5 ]

CAS No. :	141871-02-5
Formula :	C₁₃H₁₇NO₄
M.W :	251.28
SMILES Code :	O=C(O)C1=CC=CC=C1N(C(OC(C)(C)C)=O)C
MDL No. :	MFCD00237567
InChI Key :	UXLICAHPTWWCII-UHFFFAOYSA-N
Pubchem ID :	2757235

Safety of [ 141871-02-5 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H335
Precautionary Statements:	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501

Application In Synthesis of [ 141871-02-5 ]

* 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.

Downstream synthetic route of [ 141871-02-5 ]

[ 141871-02-5 ] Synthesis Path-Downstream 1~33

1
[ 2185-00-4 ]
[ 141871-02-5 ]
[ 23955-50-2 ]

References: [1]Tetrahedron Letters,1992,vol. 33,p. 1887 - 1888.

2
[ 2185-00-4 ]
[ 141871-02-5 ]
[ 1133-42-2 ]

References: [1]Tetrahedron,1994,vol. 50,p. 9051 - 9060.

3
[ 141871-02-5 ]
[ 45530-21-0 ]
1,3-Dimethyl-1,5-dihydro-benzo[b][1,4]diazepine-2,4-dione [ No CAS ]

References: [1]Tetrahedron Letters,1992,vol. 33,p. 1887 - 1888.

4
[ 141871-02-5 ]
[ 583-47-1 ]
3-Benzyl-1-methyl-1,5-dihydro-benzo[b][1,4]diazepine-2,4-dione [ No CAS ]

References: [1]Tetrahedron Letters,1992,vol. 33,p. 1887 - 1888.

5
[ 5473-12-1 ]
[ 141871-02-5 ]
Boc Me Ant-Sar-OMe [ No CAS ]

References: [1]Tetrahedron,1994,vol. 50,p. 9051 - 9060.

6
[ 10065-72-2 ]
[ 141871-02-5 ]
(S)-2-[2-(tert-Butoxycarbonyl-methyl-amino)-benzoylamino]-propionic acid methyl ester [ No CAS ]

References: [1]Tetrahedron,1994,vol. 50,p. 9051 - 9060.

7
[ 5680-79-5 ]
[ 141871-02-5 ]
[ 159878-80-5 ]

References: [1]Synthetic Communications,1993,vol. 23,p. 2265 - 2272.

8
[ 141871-02-5 ]
[ 5619-07-8 ]
Boc MeAnt-Phe-OMe [ No CAS ]

References: [1]Synthetic Communications,1993,vol. 23,p. 2265 - 2272.

9
[ 13515-97-4 ]
[ 141871-02-5 ]
2-[2-(tert-Butoxycarbonyl-methyl-amino)-benzoylamino]-propionic acid methyl ester [ No CAS ]

References: [1]Synthetic Communications,1993,vol. 23,p. 2265 - 2272.

10
[ 13515-93-0 ]
[ 141871-02-5 ]
Boc Me Ant-Sar-OMe [ No CAS ]

References: [1]Synthetic Communications,1993,vol. 23,p. 2265 - 2272.

11
L-leucine [ No CAS ]
[ 141871-02-5 ]
1,3-Dimethyl-1,5-dihydro-benzo[b][1,4]diazepine-2,4-dione [ No CAS ]
1,3-Dimethyl-1,5-dihydro-benzo[b][1,4]diazepine-2,4-dione [ No CAS ]

References: [1]Tetrahedron Letters,1992,vol. 33,p. 1887 - 1888.

12
[ 3412-48-4 ]
[ 141871-02-5 ]
(+)-1-methyl-3-phenyl-1,4-benzodiazepin-2,5-dione [ No CAS ]

References: [1]Tetrahedron,1994,vol. 50,p. 9051 - 9060.

13
[ 141871-02-5 ]
[ 616-34-2 ]
[ 159878-80-5 ]

References: [1]Tetrahedron,1994,vol. 50,p. 9051 - 9060.

14
[ 141871-02-5 ]
[ 2224-52-4 ]
(S)-1,3-dimethyl-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione [ No CAS ]

References: [1]Tetrahedron,1994,vol. 50,p. 9051 - 9060.

15
[ 141871-02-5 ]
[ 14825-82-2 ]
[ 104874-02-4 ]

References: [1]Tetrahedron,1994,vol. 50,p. 9051 - 9060.

16
[ 141871-02-5 ]
[ 1676-74-0 ]
(+)-1-methyl-3-(β-indolmethyl)-1,4-benzodiazepin-2,5-dione [ No CAS ]

References: [1]Tetrahedron,1994,vol. 50,p. 9051 - 9060.

17
[ 924-44-7 ]
[ 931-53-3 ]
[ 141871-02-5 ]
[ 3218-02-8 ]
2-[2-(tert-butoxycarbonyl-methyl-amino)-benzoyl]-cyclohexylmethyl-amino}-N-cyclohexyl-malonamic acid ethyl ester [ No CAS ]

References: [1]Tetrahedron Letters,1999,vol. 40,p. 5295 - 5299.

18
[ 104-53-0 ]
[ 67-56-1 ]
[ 5036-48-6 ]
[ 141871-02-5 ]
resin-bound isonitrile [ No CAS ]
2-[[2-(tert-Butoxycarbonyl-methyl-amino)-benzoyl]-(3-imidazol-1-yl-propyl)-amino]-4-phenyl-butyric acid methyl ester [ No CAS ]

References: [1]Tetrahedron Letters,1998,vol. 39,p. 7227 - 7230.

19
[ 598-45-8 ]
[ 123-38-6 ]
[ 141871-02-5 ]
Wang resin bound L-phenylalanine [ No CAS ]
2-(3-benzyl-1-methyl-2,5-dioxo-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl)-N-isopropyl-butyramide [ No CAS ]

References: [1]Tetrahedron Letters,2000,vol. 41,p. 1509 - 1514.

20
[ 141871-02-5 ]
4-cyclohexylmethyl-1-methyl-2,5-dioxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine-3-carboxylic acid cyclohexylamide [ No CAS ]

References: [1]Tetrahedron Letters,1999,vol. 40,p. 5295 - 5299.

21
[ 141871-02-5 ]
4-(3-Imidazol-1-yl-propyl)-1-methyl-3-phenethyl-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione [ No CAS ]

References: [1]Tetrahedron Letters,1998,vol. 39,p. 7227 - 7230.

22
[ 141871-02-5 ]
[ 5973-23-9 ]

References: [1]Tetrahedron,1994,vol. 50,p. 9051 - 9060.
[2]Synthetic Communications,1993,vol. 23,p. 2265 - 2272.

23
[ 141871-02-5 ]
[ 1133-42-2 ]

References: [1]Tetrahedron,1994,vol. 50,p. 9051 - 9060.
[2]Synthetic Communications,1993,vol. 23,p. 2265 - 2272.

24
[ 141871-02-5 ]
[ 1015-77-6 ]

References: [1]Tetrahedron,1994,vol. 50,p. 9051 - 9060.
[2]Synthetic Communications,1993,vol. 23,p. 2265 - 2272.

25
[ 141871-02-5 ]
[ 58445-88-8 ]

References: [1]Synthetic Communications,1993,vol. 23,p. 2265 - 2272.

26
[ 123-72-8 ]
[ 141871-02-5 ]
[ 146651-75-4 ]
C₃₃H₄₈N₄O₆ [ No CAS ]

References: [1]Tetrahedron Letters,2009,vol. 50,p. 1939 - 1942.

27
[ 2769-64-4 ]
[ 78-81-9 ]
[ 75-07-0 ]
[ 141871-02-5 ]
[ 1173821-05-0 ]

References: [1]Tetrahedron Letters,2009,vol. 50,p. 4054 - 4057.

28
[ 32854-09-4 ]
[ 141871-02-5 ]
C₃₄H₄₆N₄O₁₀S₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
35%	With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; triethylamine; In dichloromethane;Inert atmosphere;	A solution of 7a (177 mg, 1.17 mmol), pyBOP (582 mg,1.17 mmol), and Et3N (179 mL, 1.28 mmol) in DCM (5 mL) was stirred for 15 min to which was added L-cystine dimethyl ester dihydrochloride (200 mg, 0.586 mmol). The mixture was stirred overnight under an inert atmosphere. The mixture was concentrated under vacuum, and taken up in EtOAc (10 mL). Theo rganic layer was was hed with H2O (10mL), NaHCO3 (10 mL), brine (10 mL), dried over MgSO4, filtered, and concentratedunder vacuum. The product was purified using column chromatography with EtOAc-petroleum eluent, which afforded the title compound as awhite amorphous solid (300 mg, 35% yield). H (400MHz, CDCl3) 7.70 (d,J7.6, 1H), 7.45 (td,J7.7, 1.6,1H), 7.40 -7.07 (m, 4H), 5.02 (s, 1H), 3.76 (s, 3H), 3.29 (m,2H), 3.19 (s, 3H), 1.33 (s, 9H). C (100MHz, CDCl3) 170.5, 141.4,131.7, 129.5, 128.1, 127.3, 80.8, 52.8, 51.9, 40.5, 29.7, 28.2. HRMS (ESI) m/z757.2507; calcd for C34H46N4O10S2Na [MNa] 757.2548. nmax/cm13337, 2960, 1743, 1664, 1152, 730

References: [1]Australian Journal of Chemistry,2015,vol. 68,p. 1829 - 1833.

29
[ 24424-99-5 ]
[ 119-68-6 ]
[ 141871-02-5 ]

Yield	Reaction Conditions	Operation in experiment
	With dmap; triethylamine; In acetonitrile; at 20℃; for 2h;	General procedure: To a solution of anthranilic acid (0.5g, 3.64mmol) in acetonitrile (10mL) were added TEA (0.73g, 7.28mmol), Boc anhydride (0.95g, 4.37mmol), and DMAP (0.044g, 0.36mmol). The mixture was stirred at rt for 2.0 h. CMPI (1.1g, 4.36mmol) was added in one lot to the reaction mixture. The reaction mixture was stirred at rt for 10 min. 1N HCl (20mL) was added to the reaction and the mixture was extracted two times with EtOAc. The combined organic layers were washed with brine, dried with anhydrous Na2SO4, filtered, and concentrated under reduced pressure. The resulting solid was crystallized in DCM and MeOH to afford 0.56g (95%) of 1H-benzo[d][1,3]oxazine-2,4-dione as an off white solid. 1H NMR (400MHz, DMSO) δ 7.14-7.16 (d, J=8Hz, 1H), 7.23-7.27 (t, J=16Hz,1H), 7.72-7.74 (t, J=8Hz, 1H), 7.90-7.92 (d, J=8Hz,1H), 11.72 (s, 1H). 13C NMR (100MHz, DMSO-d6) δ 110.6, 115.7, 123.9, 129.3, 137.3, 141.8, 147.5, 160.3. IR (thin film) 3461, 3173, 2937, 1984, 1753, 1604, 1486, 1358, 1258, 1138, 1009, 765, 673, 492. ES-MS (m/z): 161.8 (M+-H). MP (C): 236.

References: [1]Tetrahedron Letters,2013,vol. 54,p. 6897 - 6899.

30
[ 141871-02-5 ]
[ 10328-92-4 ]

Yield	Reaction Conditions	Operation in experiment
		General procedure: To a solution of anthranilic acid (0.5g, 3.64mmol) in acetonitrile (10mL) were added TEA (0.73g, 7.28mmol), Boc anhydride (0.95g, 4.37mmol), and DMAP (0.044g, 0.36mmol). The mixture was stirred at rt for 2.0 h. CMPI (1.1g, 4.36mmol) was added in one lot to the reaction mixture. The reaction mixture was stirred at rt for 10 min. 1N HCl (20mL) was added to the reaction and the mixture was extracted two times with EtOAc. The combined organic layers were washed with brine, dried with anhydrous Na2SO4, filtered, and concentrated under reduced pressure. The resulting solid was crystallized in DCM and MeOH to afford 0.56g (95%) of 1H-benzo[d][1,3]oxazine-2,4-dione as an off white solid. 1H NMR (400MHz, DMSO) δ 7.14-7.16 (d, J=8Hz, 1H), 7.23-7.27 (t, J=16Hz,1H), 7.72-7.74 (t, J=8Hz, 1H), 7.90-7.92 (d, J=8Hz,1H), 11.72 (s, 1H). 13C NMR (100MHz, DMSO-d6) δ 110.6, 115.7, 123.9, 129.3, 137.3, 141.8, 147.5, 160.3. IR (thin film) 3461, 3173, 2937, 1984, 1753, 1604, 1486, 1358, 1258, 1138, 1009, 765, 673, 492. ES-MS (m/z): 161.8 (M+-H). MP (C): 236.

References: [1]Tetrahedron Letters,2013,vol. 54,p. 6897 - 6899.

31
[ 141871-02-5 ]
C₁₆H₁₈N₂O₄S [ No CAS ]

References: [1]Patent: CN110204538,2019,A .

32
[ 141871-02-5 ]
C₂₆H₂₈N₄O₃S [ No CAS ]

References: [1]Patent: CN110204538,2019,A .

33
[ 1393377-75-7 ]
[ 141871-02-5 ]
C₁₇H₂₀N₂O₄S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
61%		Add EDCI (4 mmol), dichloromethane, acid 10 (4 mmol), triethylamine (8 mmol), dimethyl azide 2 (1 mmol) to a round bottom flask under stirring at room temperature. Triphenylphosphine (8 mmol) was stirred at 50 C for 5 h. After completion of the reaction, DBU (12 mmol) and bromotrichloromethane (10 mmol) were sequentially added to the mixture, and the mixture was stirred for 3 h. After the reaction was completed, an equal volume of a saturated ammonium chloride solution was added, and the mixture was extracted with dichloromethane (3×15 ml). The organic layer was dried over anhydrous sodium sulfate and evaporated to dryness. Column gave compound 11 as a pale yellow solid, yield 61%.

References: [1]Patent: CN110204538,2019,A .Location in patent: Paragraph 0050-0052.

Historical Records

Technical Information

• Acyl Group Substitution • Alkyl Halide Occurrence • Arndt-Eistert Homologation • Bouveault-Blanc Reduction • Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Catalytic Hydrogenation • Chan-Lam Coupling Reaction • Complex Metal Hydride Reductions • Ester Cleavage • Hunsdiecker-Borodin Reaction • Hydride Reductions • Lawesson's Reagent • Leuckart-Wallach Reaction • Mannich Reaction • Passerini Reaction • Petasis Reaction • Preparation of Amines • Preparation of Carboxylic Acids • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reactions of Carboxylic Acids • Reactions with Organometallic Reagents • Schmidt Reaction • Specialized Acylation Reagents-Carbodiimides and Related Reagents • Specialized Acylation Reagents-Ketenes • Specialized Acylation Reagents-Vilsmeier Reagent • Ugi Reaction

Related Functional Groups of
[ 141871-02-5 ]

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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.
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.: 141871-02-5

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