CAS No.194032-32-1,(S)-1-Boc-2-methyl-[1,4]diazepane Suppliers

Products Categories

Pharmaceutical (66)
Organic Chemicals (18)
Others (11)
Basic Inorganic Chemicals (2)
Reagent (1)

Basic Information

Molecular Structure:
CAS No.:	194032-32-1
Name:	(S)-1-Boc-2-methyl-[1,4]diazepane
Article Data:	4

Formula:	C₁₁H₂₂N₂O₂
Molecular Weight:	214.308
Synonyms:	2-Methyl-2-propanyl (2S)-2-methyl-1,4-diazepane-1-carboxylate;
EINECS:	1592732-453-0
Density:	0.981 g/cm³
Boiling Point:	288.33 °C at 760 mmHg
Flash Point:	128.177 °C
Appearance:	Yellow Oil
PSA:	41.57000
LogP:	1.87200

Synthetic route

: 949109-36-8
tert-butyl (S)-3-methyl-4-[(2-nitrophenyl)sulfonyl]-1,4-diazepane-1-carboxylate

: 194032-32-1
(S)-tert-butyl 3-methyl-1,4-diazepane-1-carboxylate

Conditions

Conditions	Yield
With potassium carbonate; thiophenol In acetonitrile at 20℃; for 18h; Inert atmosphere; Large scale;	86%
With potassium carbonate; thiophenol In acetonitrile at 20℃; for 24h;	85.7%

: 1360538-91-5
(S)-1-benzyl 4-tert-butyl 2-methyl-1,4-diazepane-1,4-dicarboxylate

: 194032-32-1
(S)-tert-butyl 3-methyl-1,4-diazepane-1-carboxylate

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen In methanol; mineral oil at 20℃; for 19h; Inert atmosphere;	60.7%

: 1001401-71-3
tert-butyl (S)-4-benzyl-3-methyl-1,4-diazepane-1-carboxylate

: 194032-32-1
(S)-tert-butyl 3-methyl-1,4-diazepane-1-carboxylate

Conditions

Conditions	Yield
With hydrogen; palladium dihydroxide In methanol; ethyl acetate

: 24424-99-5
di-tert-butyl dicarbonate

: 194032-32-1
(S)-tert-butyl 3-methyl-1,4-diazepane-1-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium carbonate / water; ethanol / Inert atmosphere; Large scale 2: potassium carbonate; thiophenol / acetonitrile / 18 h / 20 °C / Inert atmosphere; Large scale View Scheme

: 949109-35-7
(S)-tert-butyl 3-hydroxypropyl(2-(2-nitrophenylsulfonylamide)propyl)carbamate

: 194032-32-1
(S)-tert-butyl 3-methyl-1,4-diazepane-1-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: triphenylphosphine; di-isopropyl azodicarboxylate / tetrahydrofuran / 9 h / 5 - 20 °C / Inert atmosphere; Large scale 2: potassium carbonate; thiophenol / acetonitrile / 24 h / 20 °C View Scheme

: 1360538-87-9
(S)-N-{1-[(3-hydroxypropyl)amino]propan-2-yl}-2-nitrobenzenesulfonamide

: 194032-32-1
(S)-tert-butyl 3-methyl-1,4-diazepane-1-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: triphenylphosphine; di-isopropyl azodicarboxylate / tetrahydrofuran / 16 h / 5 - 20 °C / Inert atmosphere 2: hydrogenchloride / water; ethyl acetate / pH 4 / Large scale 3: potassium carbonate / water; ethanol / 5 h / 5 °C / Large scale 4: potassium carbonate; thiophenol / acetonitrile / 24 h / 20 °C View Scheme

: 906820-08-4
4-fluoroisoquinoline-5-sulfonyl chloride hydrochloride

: 194032-32-1
(S)-tert-butyl 3-methyl-1,4-diazepane-1-carboxylate

: 1360538-86-8
(S)-tert-butyl 4-[(4-fluoroisoquinoline-5-yl)sulfonyl]-3-methyl-1,4-diazepane-1-carboxylate

Conditions

Conditions	Yield
With triethylamine In acetonitrile for 2h; Solvent; Time; Temperature; Inert atmosphere; Cooling with ice; Large scale;	100%

: 906820-08-4
4-fluoroisoquinoline-5-sulfonyl chloride hydrochloride

: 194032-32-1
(S)-tert-butyl 3-methyl-1,4-diazepane-1-carboxylate

: 223644-02-8
4-fluoro-5-[[(2S)-hexahydro-2-methyl-1H-1,4-diazepin-1-yl]sulfonyl]isoquinoline hydrochloride

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 0℃; for 2h;	97%

: 1001401-62-2
2-(2H-1,2,3-triazol-2-yl)benzoic acid

: 194032-32-1
(S)-tert-butyl 3-methyl-1,4-diazepane-1-carboxylate

: 1001401-72-4
tert-butyl (S)-3-methyl-4-(2-(2H-1,2,3-triazol-2-yl)benzoyl)-1,4-diazepane-1-carboxylate

Conditions

Conditions	Yield
With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine In N,N-dimethyl-formamide at 50℃;

Total:90 Page 1 of 3 1 2 3 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 194032-32-1

Specification

The CAS registry number of (S)-1-Boc-2-methyl-[1,4]diazepane is 194032-32-1. It belongs to the product category of Chiral Reagents. This chemical's molecular formula is C₁₁H₂₂N₂O₂ and molecular weight is 214.3. What's more, its systematic name is called 2-Methyl-2-propanyl (2S)-2-methyl-1,4-diazepane-1-carboxylate.

Physical properties about (S)-1-Boc-2-methyl-[1,4]diazepane are: (1)ACD/LogP: 1.827; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.23; (4)ACD/LogD (pH 7.4): -0.31; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.72; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.57 Å²; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 59.496 cm³; (15)Molar Volume: 218.461 cm³; (16)Polarizability: 23.586×10^-24cm³; (17)Surface Tension: 30.97 dyne/cm; (18)Density: 0.981 g/cm³; (19)Flash Point: 128.177 °C; (20)Enthalpy of Vaporization: 52.756 kJ/mol; (21)Boiling Point: 288.33 °C at 760 mmHg; (22)Vapour Pressure: 0.0020 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C[C@H]1CNCCCN1C(=O)OC(C)(C)C
(2) InChI: InChI=1S/C11H22N2O2/c1-9-8-12-6-5-7-13(9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m0/s1
(3) InChIKey: FPUHWSHGYILARO-VIFPVBQESA-N