[ CAS No. 34535-98-3 ]

Name: 34535-98-3|N-Cyclopropylaniline|95%
Brand: Ambeed
SKU: A637560
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Quality Control of [ 34535-98-3 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 34535-98-3 ]

Product Details of [ 34535-98-3 ]

CAS No. :	34535-98-3	MDL No. :	MFCD04038984
Formula :	C₉H₁₁N	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	AOTWIFLKURJQGE-UHFFFAOYSA-N
M.W :	133.19	Pubchem ID :	7016287
Synonyms :

Calculated chemistry of [ 34535-98-3 ]

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.33
Num. rotatable bonds :	2
Num. H-bond acceptors :	0.0
Num. H-bond donors :	1.0
Molar Refractivity :	43.25
TPSA :	12.03 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.37 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.05
Log Po/w (XLOGP3) :	2.46
Log Po/w (WLOGP) :	2.01
Log Po/w (MLOGP) :	2.06
Log Po/w (SILICOS-IT) :	2.18
Consensus Log Po/w :	2.15

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.53
Solubility :	0.395 mg/ml ; 0.00297 mol/l
Class :	Soluble
Log S (Ali) :	-2.36
Solubility :	0.586 mg/ml ; 0.0044 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.01
Solubility :	0.129 mg/ml ; 0.000968 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.0

Safety of [ 34535-98-3 ]

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

Application In Synthesis of [ 34535-98-3 ]

* 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 [ 34535-98-3 ]

[ 34535-98-3 ] Synthesis Path-Downstream 1~69

1
N-(1-ethoxycycloropyl)-phenylamine [ No CAS ]
[ 34535-98-3 ]

Reference： [1]Chemistry - A European Journal,2010,vol. 16,p. 8096 - 8107
[2]Journal of the Chemical Society. Chemical communications,1987,p. 897 - 898
[3]Synthetic Communications,2012,vol. 42,p. 1855 - 1863

2
[ 27374-25-0 ]
[ 62-53-3 ]
[ 34535-98-3 ]
Dicyclopropyl-phenyl-amine [ No CAS ]

Reference： [1]Tetrahedron Letters,1995,vol. 36,p. 7399 - 7402

3
[ 598-21-0 ]
[ 34535-98-3 ]
[ 174180-98-4 ]

Reference： [1]Journal of Medicinal Chemistry,1997,vol. 40,p. 2706 - 2725

4
[ 108-86-1 ]
[ 765-30-0 ]
[ 34535-98-3 ]

Yield	Reaction Conditions	Operation in experiment
58%	With [Pd(allyl)(BrettPhos)]OTf; sodium t-butanolate; In toluene; at 90℃;Schlenk technique; Inert atmosphere;	General procedure: The N-aryl aminocyclopropanes were synthesized according to the literature.[5] An oven-dried Schlenk tube equipped with a stirring bar was charged with [Pd(allyl)(brettphos)]OTf (0.025 mmol, 0.5 mol %), and NaOt-Bu (7.5 mmol). The tube was evacuated and backfilled with nitrogen for three times. The amine (7.5mmol), aryl bromine (5.0 mmol), and anhydrous toluene (40 mL) were added sequentially via syringe. The tube was placed in a preheated oil bath and the contents were stirred for the indicated time. The tube was then removed from the oil bath and allowed to cool to room temperature. The reaction mixture was diluted with 10 mL of dichloromethane and filtered through a pad of Celite. The solution was concentrated in vacuo, and the residue was purified on silica gel using n-hexane/ethyl acetate as eluent.

Reference： [1]Advanced Synthesis and Catalysis,2014,vol. 356,p. 2831 - 2837
[2]Angewandte Chemie - International Edition,2012,vol. 51,p. 222 - 226
[3]Organic Letters,2018,vol. 20,p. 2693 - 2697
[4]Beilstein Journal of Organic Chemistry,2019,vol. 15,p. 542 - 550
[5]Tetrahedron,2001,vol. 57,p. 2953 - 2956
[6]Journal of the American Chemical Society,2017,vol. 139,p. 12259 - 12266

5
[ 66715-65-9 ]
[ 34535-98-3 ]
N-phenyl-N-cyclopropylpyridine-2-sulfonamide [ No CAS ]

Reference： [1]Synthetic Communications,2001,vol. 31,p. 2209 - 2214

6
N-phenyl-N-cyclopropylpyridine-2-sulfonamide [ No CAS ]
[ 34535-98-3 ]

Reference： [1]Synthetic Communications,2001,vol. 31,p. 2209 - 2214

7
[ 34535-98-3 ]
[ 66223-76-5 ]
[ 400777-76-6 ]

Reference： [1]European Journal of Organic Chemistry,2001,p. 3811 - 3817

8
[ 34535-98-3 ]
[ 400777-76-6 ]

Reference： [1]European Journal of Organic Chemistry,2001,p. 3811 - 3817

9
[ 400777-68-6 ]
[ 34535-98-3 ]

Reference： [1]European Journal of Organic Chemistry,2001,p. 3811 - 3817

10
[ 34535-98-3 ]
[ 62-53-3 ]

Reference： [1]Journal of the American Chemical Society,2001,vol. 123,p. 10107 - 10108

11
[ 725242-37-5 ]
[ 62-53-3 ]
[ 34535-98-3 ]

Reference： [1]Journal of the American Chemical Society,2001,vol. 123,p. 10107 - 10108

12
[ 34535-98-3 ]
[ 168155-50-8 ]
3-{(4-allyl-2,5-dimethyl-piperazin-1-yl)-[3-(tert-butyl-dimethyl-silanyloxy)-phenyl]-methyl}-N-cyclopropyl-N-phenyl-benzamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2003,vol. 46,p. 623 - 633

13
[ 603-33-8 ]
[ 765-30-0 ]
[ 34535-98-3 ]

Reference： [1]Journal of Medicinal Chemistry,2003,vol. 46,p. 623 - 633

14
[ 27374-25-0 ]
[ 62-53-3 ]
[ 34535-98-3 ]

Reference： [1]Synlett,2003,p. 2139 - 2142

15
[ 34535-98-3 ]
[ 298-12-4 ]
[ 725242-37-5 ]

Reference： [1]Journal of the American Chemical Society,2001,vol. 123,p. 10107 - 10108

16
[ 34535-98-3 ]
3-((αR)-α-((2S,5R)-4-allyl-2,5-dimethyl-1-piperazinyl)-3-hydroxybenzyl)-N-cyclopropyl-N-phenylbenzamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2003,vol. 46,p. 623 - 633

17
[ 34535-98-3 ]
N-cyclopropyl-N-phenylglycine methyl ester [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2001,vol. 123,p. 10107 - 10108

18
[ 16350-99-5 ]
[ 34535-98-3 ]

Reference： [1]European Journal of Organic Chemistry,2001,p. 3811 - 3817

19
[ 34535-98-3 ]
[ 31121-11-6 ]

Reference： [1]European Journal of Organic Chemistry,2001,p. 3811 - 3817

20
[ 103-70-8 ]
[ 34535-98-3 ]

Reference： [1]European Journal of Organic Chemistry,2001,p. 3811 - 3817

21
[ 34535-98-3 ]
[ 174180-99-5 ]

Reference： [1]Journal of Medicinal Chemistry,1997,vol. 40,p. 2706 - 2725

22
[ 34535-98-3 ]
N-Cyclopropyl-2-[3-(1H-indazol-3-ylmethyl)-2,4-dioxo-5-phenyl-2,3,4,5,tetrahydro-benzo[b][1,4]diazepin-1-yl]-N-phenyl-acetamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1997,vol. 40,p. 2706 - 2725

23
[ 34535-98-3 ]
[ 174180-97-3 ]

Reference： [1]Journal of Medicinal Chemistry,1997,vol. 40,p. 2706 - 2725

24
[ 62-53-3 ]
p-toluenesulfonic acid-<p-amino-phenyl>-ester [ No CAS ]
[ 34535-98-3 ]

Reference： [1]Journal of the Chemical Society. Chemical communications,1987,p. 897 - 898

Yield	Reaction Conditions	Operation in experiment
		Cyclopropylamine (1.0 g, 17.5 mmol.) was added to triphenylbismuth (9.25 g, 21.0 mmol.) and cupric acetate (1.6 g, 8.75 mmol) in dichloromethane (30 mL) at room temperature under nitrogen. The mixture was stirred for 18 hours, filtered over a short plug of celite to remove any insoluble material, and purified by chromatography on a silica gel column (4 cm*10 cm) using hexane/ethyl acetate (95/5) for elution. The fraction containing the desired product was stripped of all volatiles under vacuum to yield N-cyclopropylaniline (0.8 g). NMR (200 MHz, DMSO-d6): delta0.37 (m, 2H); 0.68 (m, 2H); 2.30 (m, 1H); 6.03 (br s, 1H); 6.56 (t, J=7.4 Hz, 1H); 6.70 (d, J=8.2 Hz, 2H); 7.09 (t, J=7.8 Hz, 2H) N-Cyclopropylaniline was then be coupled with 3-((alphaR)-alpha-((2S,5R)-4-allyl-2,5-dimethyl-1-piperazinyl)-3-(tert-butyldimethylsilyloxy)-benzyl)benzoyl chloride, deprotected and purified by the methods described in Example 10 to give 3-((alphaR)-alpha-((2S,5R)-4-allyl-2,5-dimethyl-1-piperazinyl)-3-hydroxybenzyl)-N-cyclopropyl-N-phenylbenzamide as a yellow powder. NMR (200 MHz, DMSO-d6): delta0.44 (m, 2H); 0.70 (m, 2H); 0.93 (d, J=6.1 Hz, 3H); 1.01 (d, J=5.7 Hz, 3H); 1.74 (dd, J1 =7.7 Hz, J2 =11.8 Hz, 1H); 2.05 (dd, J1 =6.8 Hz, J2 =11.1 Hz, 1H); 2.39 (br d, J=10.5 Hz, 1H); 2.41-2.54 (m, 2H); 2.69 (br d, J=11.8 Hz, 1H); 2.83 (dd, J1 =6.6 Hz, J2 =13.6 Hz, 1H); 3.05-3.36 (m, 2H); 4.83 (s, 1H); 5.10 (d, J=9.8 Hz, 1H); 5.17 (d, J=17.4 Hz, 1H); 5.70-5.86 (m, 1H); 6.57 (d, J=7.1 Hz, 1H); 6.63 (s, 1H); 6.65 (d, J=8.2 Hz, 1H); 7.03-7.38 (m, 10H); 9.34 (s, 1H). Mass spectrum (CI--CH4) m/e: 496 (M+1, 100%), 342 (45%), 153 (90%). [alpha]D20 =+7.1 (abs. ethanol, c=1.1).
		Cyclopropylamine (1.0 g, 17.5 mmol.) was added to triphenylbismuth (9.25 g, 21.0 mmol.) and cupric acetate (1.6 g, 8.75 mmol) in dichloromethane (30 mL) at room temperature under nitrogen. The mixture was stirred for 18 hours, filtered over a short plug of celite to remove any insoluble material, and purified by chromatography on a silica gel column (4 cm*10 cm) using hexane/ethyl acetate (95/5) for elution. The fraction containing the desired product was stripped of all volatiles under vacuum to yield N-cyclopropylaniline (0.8 g). NMR (200 MHz, DMSO-d6): delta 0.37 (m, 2H); 0.68 (m, 2H); 2.30 (m, 1H); 6.03 (br s, 1H); 6.56 (t, J=7.4 Hz, 1H); 6.70 (d, J=8.2 Hz, 2H); 7.09 (t, J=7.8 Hz, 2H) N-Cyclopropylaniline was then be coupled with 3-((alphaR)-alpha-((2S,5R)-4-allyl-2,5-dimethyl-1-piperazinyl)-3-(tert-butyldimethylsilyloxy)-benzyl)benzoyl chloride, deprotected and purified by the methods described in Example 10 to give 3-((alphaR)-alpha-((2S,5R)-4-allyl-2,5-dimethyl-1-piperazinyl)-3-hydroxybenzyl)-N-cyclopropyl-N-phenylbenzamide as a yellow powder. NMR (200 MHz, DMSO-d6): delta 0.44 (m, 2H); 0.70 (m, 2H); 0.93 (d, J=6.1 Hz, 3H); 1.01 (d, J=5.7 Hz, 3H); 1.74 (dd, J1 =7.7 Hz, J2 =11.8 Hz, 1H); 2.05 (dd, J1 =6.8 Hz, J2 =11.1 Hz, 1H); 2.39 (br d, J=10.5 Hz, 1H); 2.41-2.54 (m, 2H); 2.69 (br d, J=11.8 Hz, 1H); 2.83 (dd, J1 =6.6 Hz, J2 =13.6 Hz, 1H); 3.05-3.36 (m, 2H); 4.83 (s, 1H); 5.10 (d, J=9.8 Hz, 1H); 5.17 (d, J=17.4 Hz, 1H); 5.70-5.86 (m, 1H); 6.57 (d, J=7.1 Hz, 1H); 6.63 (s, 1H); 6.65 (d, J=8.2 Hz, 1H); 7.03-7.38 (m, 10H); 9.34 (s, 1H). Mass spectrum (CI--CH4) m/e: 496 (M+1, 100%), 342 (45%), 153 (90%). [alpha]D20 =+7.1 (abs. ethanol, c=1.1).

26
[ 121-44-8 ]
[ 598-21-0 ]
[ 34535-98-3 ]
[ 174180-98-4 ]

Yield	Reaction Conditions	Operation in experiment
	In 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran;	A. 2-Bromo-N-cyclopropyl-N-phenyl-acetamide To a stirred solution of 908 mg (6.83 mmol) <strong>[34535-98-3]Cyclopropyl-phenyl-amine</strong> (Kang, Sung, Kim, J. Chem. Soc., Chem. Commun., 1987, 897-898) and 690 mg (6.83 mmol, 1 equiv) Et3 N in 10 mL DCM is added 1.38 g (6.83 mmol, 1 equiv) Bromoacetyl bromide in 4 mL DCM dropwise over 15 minutes at 0 C. The reaction mixture is stirred 3 h at 0 C., diluted with 30 mL DCM, washed with 1N HCl (30 mL), dried (MgSO4), and concentrated in vacuo. The crude product is purified by flash chromatography on 30 g silica gel eluted successively with EtOAc/Hexanes (1:9, 100 mL), (3:17, 300 mL). Appropriate fractions were combined and concentrated in vacuo to give 948 mg (3.73 mmol) of 2-Bromo-N-cyclopropyl-N-phenyl-acetamide as an amber oil: 1 H NMR (CDCl3, 300 MHz) delta7.39 (m, 3H), 7.15 (m, 2H), 3.62 (s, br, 2H), 3.24 (m, 1H), 0.83 (m, 2H), 0.52 (m, 2H); TLC Rf =0.18 (EtOAc/Hexanes, 3:17).

Reference： [1]Patent: US5859007,1999,A

27
[ 34535-98-3 ]
[ 49617-83-6 ]
[ 950577-09-0 ]

Yield	Reaction Conditions	Operation in experiment
21%	With potassium carbonate; In tetrahydrofuran; at 20℃; for 15h;	N-cyclopropyl-N-(3-iodobenzyl)aniline N-cyclopropylaniline (type W, commercially available) (1.1 g) and 1-(bromomethyl)-3-iodobenzole (type X, commercially available) (2.5 g, 8.3 mmol) were dissolved in tetrahydrofuran (20 mL) and potassium carbonate (2.2 g, 16.6 mmol) added. The mixture was stirred approx. 15 h at RT and then placed on water (200 mL) and extracted with chloroform (100 mL). The organic phase was dried (MgSO4) and evaporated to low bulk. (Yield: 600 mg, 21%)

Reference： [1]Patent: US2009/69320,2009,A1 .Location in patent: Page/Page column 71

28
[ 292638-84-7 ]
[ 34535-98-3 ]
N-(2-phenylcyclopentyl)aniline [ No CAS ]
N-(2-phenylcyclopentyl)aniline [ No CAS ]

Reference： [1]Organic Letters,2018,vol. 20,p. 2693 - 2697
[2]Angewandte Chemie - International Edition,2012,vol. 51,p. 222 - 226

29
[ 1515-78-2 ]
[ 34535-98-3 ]
C₁₉H₂₁N [ No CAS ]
C₁₉H₂₁N [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2012,vol. 51,p. 222 - 226

30
[ 2039-88-5 ]
[ 34535-98-3 ]
N-(2-(2-bromophenyl)cyclopentyl)aniline [ No CAS ]
N-(2-(2-bromophenyl)cyclopentyl)aniline [ No CAS ]

Reference： [1]Organic Letters,2018,vol. 20,p. 2693 - 2697
[2]Angewandte Chemie - International Edition,2012,vol. 51,p. 222 - 226

31
[ 75-36-5 ]
[ 34535-98-3 ]
3-acetoxy-propionic acid anilide [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2012,vol. 51,p. 222 - 226

32
[ 107-13-1 ]
[ 34535-98-3 ]
C₁₂H₁₄N₂ [ No CAS ]
C₁₂H₁₄N₂ [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2012,vol. 51,p. 222 - 226

33
[ 34535-98-3 ]
(+/-)-cis-1,2,3,3a,4,8b-hexahydro-4-phenylcyclopent[b]indole [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2012,vol. 51,p. 222 - 226

34
[ 34535-98-3 ]
C₂₂H₂₅N [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2012,vol. 51,p. 222 - 226

35
[ 34535-98-3 ]
C₁₄H₁₇N [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2012,vol. 51,p. 222 - 226

36
[ 34535-98-3 ]
1-phenyl-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridine [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2012,vol. 51,p. 222 - 226

37
[ 34535-98-3 ]
C₂₂H₂₅N [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2012,vol. 51,p. 222 - 226

38
[ 34535-98-3 ]
(4aS,7aR)-1-Phenyl-octahydro-[1]pyrindine [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2012,vol. 51,p. 222 - 226

39
[ 62-53-3 ]
[ 34535-98-3 ]

Reference： [1]Synthetic Communications,2012,vol. 42,p. 1855 - 1863

40
[ 34535-98-3 ]
[ 66223-76-5 ]
[ 103-84-4 ]

Reference： [1]Synthetic Communications,2012,vol. 42,p. 1855 - 1863

41
[ 321532-64-3 ]
[ 34535-98-3 ]

Reference： [1]Synthesis,2013,vol. 45,p. 1039 - 1044

42
[ 536-74-3 ]
[ 34535-98-3 ]
N-(2-phenylcyclopent-2-en-1-yl)aniline [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
65%	With C60H96N4O12Rh2; In 1,2-dichloro-ethane; at 20℃; for 24h;Inert atmosphere; Schlenk technique;	General procedure: An oven-dried Schlenk tube equipped with a stirring bar was charged with Rh2(5S,R-MenPY)4 (0.1 mol %), alkyne (5.0 mmol), and dry DCE (5 mL). The tube was degassed through three freeze-pump-thaw cycles. After evacuating and backfilling the tube with argon three times, cyclopropylamine (1 mmol) was added. The reaction mixture was stirred at room temperature for 24 hours. After the reaction was complete, the mixture was concentrated and the residue was purified by flash chromatography to obtain the desired allylic amine.

Reference： [1]Organic Letters,2018,vol. 20,p. 2693 - 2697
[2]Advanced Synthesis and Catalysis,2014,vol. 356,p. 2831 - 2837
[3]Beilstein Journal of Organic Chemistry,2019,vol. 15,p. 542 - 550

43
[ 34535-98-3 ]
N-cyclopropyl-2-diazo-N-phenyl-2-(4-(trifluoromethyl)phenyl)acetamide [ No CAS ]

Reference： [1]Organic Letters,2016,vol. 18,p. 4954 - 4957

44
[ 34535-98-3 ]
(S)-3-allyl-1-cyclopropyl-3-(4-(trifluoromethyl)phenyl)indolin-2-one [ No CAS ]
(R)-3-allyl-1-cyclopropyl-3-(4-(trifluoromethyl)phenyl)indolin-2-one [ No CAS ]

Reference： [1]Organic Letters,2016,vol. 18,p. 4954 - 4957

45
[ 32857-62-8 ]
[ 34535-98-3 ]
N-cyclopropyl-N-phenyl-2-(4-(trifluoromethyl)phenyl)acetamide [ No CAS ]

Reference： [1]Organic Letters,2016,vol. 18,p. 4954 - 4957

46
[ 292638-84-7 ]
[ 34535-98-3 ]
C₁₇H₁₉N [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2017,vol. 139,p. 12259 - 12266

47
[ 3814-93-5 ]
[ 34535-98-3 ]
C₁₇H₁₆⁽²⁾H₃N [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2017,vol. 139,p. 12259 - 12266

48
[ 28920-43-6 ]
[ 34535-98-3 ]
(9H-fluoren-9-yl)methyl cyclopropyl(phenyl)carbamate [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2018,vol. 140,p. 2743 - 2747

49
[ 34535-98-3 ]
C₁₇H₁₅⁽²⁾H₂NO₂ [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2018,vol. 140,p. 2743 - 2747

50
[ 501-53-1 ]
[ 34535-98-3 ]
benzyl cyclopropyl(phenyl)carbamate [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2018,vol. 140,p. 2743 - 2747

51
[ 2680-03-7 ]
[ 34535-98-3 ]
N,N-dimethyl-2-(phenylamino)cyclopentanecarboxamide [ No CAS ]
N,N-dimethyl-2-(phenylamino)cyclopentanecarboxamide [ No CAS ]

Reference： [1]Organic Letters,2018,vol. 20,p. 2693 - 2697

52
[ 624-48-6 ]
[ 34535-98-3 ]
dimethyl 3-(phenylamino)cyclopentane-1,2-dicarboxylate [ No CAS ]

Reference： [1]Organic Letters,2018,vol. 20,p. 2693 - 2697

53
[ 34535-98-3 ]
[ 624-49-7 ]
dimethyl 3-(phenylamino)cyclopentane-1,2-dicarboxylate [ No CAS ]

Reference： [1]Organic Letters,2018,vol. 20,p. 2693 - 2697

54
[ 405-99-2 ]
[ 34535-98-3 ]
N-(2-(4-fluorophenyl)cyclopentyl)aniline [ No CAS ]
N-(2-(4-fluorophenyl)cyclopentyl)aniline [ No CAS ]

Reference： [1]Organic Letters,2018,vol. 20,p. 2693 - 2697

55
[ 1073-67-2 ]
[ 34535-98-3 ]
N-(2-(4-chlorophenyl)cyclopentyl)aniline [ No CAS ]
N-(2-(4-chlorophenyl)cyclopentyl)aniline [ No CAS ]

Reference： [1]Organic Letters,2018,vol. 20,p. 2693 - 2697

56
[ 2039-82-9 ]
[ 34535-98-3 ]
N-(2-(4-bromophenyl)cyclopentyl)aniline [ No CAS ]
N-(2-(4-bromophenyl)cyclopentyl)aniline [ No CAS ]

Reference： [1]Organic Letters,2018,vol. 20,p. 2693 - 2697

57
[ 622-97-9 ]
[ 34535-98-3 ]
N-(2-(p-tolyl)cyclopentyl)aniline [ No CAS ]
N-(2-(p-tolyl)cyclopentyl)aniline [ No CAS ]

Reference： [1]Organic Letters,2018,vol. 20,p. 2693 - 2697

58
[ 1746-23-2 ]
[ 34535-98-3 ]
N-(2-(4-(tert-butyl)phenyl)cyclopentyl)aniline [ No CAS ]
N-(2-(4-(tert-butyl)phenyl)cyclopentyl)aniline [ No CAS ]

Reference： [1]Organic Letters,2018,vol. 20,p. 2693 - 2697

59
[ 34535-98-3 ]
[ 98-83-9 ]
N-(2-methyl-2-phenylcyclopentyl)aniline [ No CAS ]
N-(2-methyl-2-phenylcyclopentyl)aniline [ No CAS ]

Reference： [1]Organic Letters,2018,vol. 20,p. 2693 - 2697

60
[ 40307-11-7 ]
[ 34535-98-3 ]
N-(2-(4-ethyl phenyl)cyclopent-2-en-1-yl)aniline [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
65%	With C60H96N4O12Rh2; In 1,2-dichloro-ethane; at 20℃; for 24h;Inert atmosphere; Schlenk technique;	General procedure: An oven-dried Schlenk tube equipped with a stirring bar was charged with Rh2(5S,R-MenPY)4 (0.1 mol %), alkyne (5.0 mmol), and dry DCE (5 mL). The tube was degassed through three freeze-pump-thaw cycles. After evacuating and backfilling the tube with argon three times, cyclopropylamine (1 mmol) was added. The reaction mixture was stirred at room temperature for 24 hours. After the reaction was complete, the mixture was concentrated and the residue was purified by flash chromatography to obtain the desired allylic amine.

Reference： [1]Organic Letters,2018,vol. 20,p. 2693 - 2697
[2]Beilstein Journal of Organic Chemistry,2019,vol. 15,p. 542 - 550

61
[ 34535-98-3 ]
[ 623-47-2 ]
ethyl 5-(phenylamino)cyclopent-1-enecarboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
67%	With C60H96N4O12Rh2; In 1,2-dichloro-ethane; at 20℃; for 24h;Inert atmosphere; Schlenk technique;Catalytic behavior;	General procedure: An oven-dried Schlenk tube equipped with a stirring bar was charged with Rh2(5S,R-MenPY)4 (0.1 mol %), alkyne (5.0 mmol), and dry DCE (5 mL). The tube was degassed through three freeze-pump-thaw cycles. After evacuating and backfilling the tube with argon three times, cyclopropylamine (1 mmol) was added. The reaction mixture was stirred at room temperature for 24 hours. After the reaction was complete, the mixture was concentrated and the residue was purified by flash chromatography to obtain the desired allylic amine.

Reference： [1]Beilstein Journal of Organic Chemistry,2019,vol. 15,p. 542 - 550
[2]Organic Letters,2018,vol. 20,p. 2693 - 2697

62
[ 91-64-5 ]
[ 34535-98-3 ]
1-(phenylamino)-1,3,3a,9b-tetrahydrocyclopenta[c]chromen-4(2H)-one [ No CAS ]
(1SR,4RS,7SR)-7-(2-hydroxyphenyl)-2-phenyl-2-azabicyclo[2.2.1]heptan-3-one [ No CAS ]

Reference： [1]Organic Letters,2018,vol. 20,p. 2693 - 2697

63
[ 34535-98-3 ]
[ 140-88-5 ]
ethyl 2-(phenylamino)cyclopentanecarboxylate [ No CAS ]
ethyl 2-(phenylamino)cyclopentanecarboxylate [ No CAS ]

Reference： [1]Organic Letters,2018,vol. 20,p. 2693 - 2697

64
[ 292638-85-8 ]
[ 34535-98-3 ]
methyl 2-(phenylamino)cyclopentanecarboxylate [ No CAS ]
methyl 2-(phenylamino)cyclopentanecarboxylate [ No CAS ]

Reference： [1]Organic Letters,2018,vol. 20,p. 2693 - 2697

65
[ 141-32-2 ]
[ 34535-98-3 ]
butyl 2-(phenylamino)cyclopentanecarboxylate [ No CAS ]
butyl 2-(phenylamino)cyclopentanecarboxylate [ No CAS ]

Reference： [1]Organic Letters,2018,vol. 20,p. 2693 - 2697

66
[ 2499-95-8 ]
[ 34535-98-3 ]
hexyl 2-(phenylamino)cyclopentanecarboxylate [ No CAS ]
hexyl 2-(phenylamino)cyclopentanecarboxylate [ No CAS ]

Reference： [1]Organic Letters,2018,vol. 20,p. 2693 - 2697

67
[ 106-63-8 ]
[ 34535-98-3 ]
isobutyl 2-(phenylamino)cyclopentanecarboxylate [ No CAS ]
isobutyl 2-(phenylamino)cyclopentanecarboxylate [ No CAS ]

Reference： [1]Organic Letters,2018,vol. 20,p. 2693 - 2697

68
[ 1663-39-4 ]
[ 34535-98-3 ]
tert-butyl 2-(phenylamino)cyclopentanecarboxylate [ No CAS ]
tert-butyl 2-(phenylamino)cyclopentanecarboxylate [ No CAS ]

Reference： [1]Organic Letters,2018,vol. 20,p. 2693 - 2697

69
[ 103-11-7 ]
[ 34535-98-3 ]
2-ethyl hexyl 2-(phenylamino)cyclopentanecarboxylate [ No CAS ]
2-ethyl hexyl 2-(phenylamino)cyclopentanecarboxylate [ No CAS ]

Reference： [1]Organic Letters,2018,vol. 20,p. 2693 - 2697

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P320
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P321
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P330	Rinse mouth.
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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.
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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.
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P401
P402	Store in a dry place.
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{[ item.p_purity ]}	{[ item.pr_size ]}	{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]}	{[ getRatePrice(item.pr_usd, 1,1) ]}	{[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]}	{[ item.pr_usastock ]}	Inquiry -	{[ item.pr_chinastock ]}	Inquiry -

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

[ CAS No. 34535-98-3 ]

Quality Control of [ 34535-98-3 ]

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Physicochemical Properties

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Lipophilicity

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Water Solubility

Medicinal Chemistry

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Application In Synthesis of [ 34535-98-3 ]

[ 34535-98-3 ] Synthesis Path-Downstream 1~69

Related Functional Groups of [ 34535-98-3 ]

Aryls

Amines

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Health hazards

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[ 34535-98-3 ]