(S)-1-BOC-2-METHYL-[1,4]DIAZEPANE

Product Name: (S)-1-BOC-2-METHYL-[1,4]DIAZEPANE
CAS No.: 194032-32-1
Chemical Name: (S)-1-BOC-2-METHYL-[1,4]DIAZEPANE
Synonyms: diazepane;tert-butyl (S)-3-methyl-1,4-diazepane-1-carboxylate;(S)-tert-butyl-3-Methyl-1,4-diazepane-1-carboxylate;(S)-Hexahydro-3-methyl-1H-1,4-Diazepine-1-carboxylic acid tert-butyl ester;(S)-1-BOC-2-METHYL-[1,4]DIAZEPANE;(S)-1-Boc-3-methyl-[1,4]diazepane;(S)-tert-butyl 3-Methyl-1,4-diazepane-;(S)-tert-butoxyl-3-Methyl-1-carbonyl-1,4-diazepine;(3S)-tert-butoxyl-3-Methyl-1-carbonyl-1,4-diazepine;(S)?-1-Boc-hexahydro-?3-?methyl-1H-?1,?4-?diazepine
CBNumber: CB4405988
Molecular Formula: C11H22N2O2
Formula Weight: 214.3
MOL File: 194032-32-1.mol

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(S)-1-BOC-2-METHYL-[1,4]DIAZEPANE Property

Boiling point:: 288℃
Density: 0.980
Flash point:: 128℃
storage temp.: 2-8°C(protect from light)
solubility: soluble in Chloroform, DMSO
pka: 10.42±0.40(Predicted)
form: Oil
color: Yellow
optical activity: 8.6925°(C=1g/100ml CHCL3)
InChI: InChI=1S/C11H22N2O2/c1-9-8-13(7-5-6-12-9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m0/s1
InChIKey: GDTFCUXOVITPHU-VIFPVBQESA-N
SMILES: N1(C(OC(C)(C)C)=O)CCCN[C@@H](C)C1

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC

Product number: H294185
Product name: Hexahydro-2(S)-methyl-4-(t-butoxycarboxyl)-1,4-diazepine
Packaging: 100mg
Price: $1190
Updated: 2021/12/16

Activate Scientific

Product number: AS49974
Product name: (S)-tert-Butyl 3-methyl-1,4-diazepane-1-carboxylate
Purity: 95% ee
Packaging: 1g
Price: $80
Updated: 2021/12/16

AK Scientific

Product number: 9242AH
Product name: (S)-tert-Butyl3-methyl-1,4-diazepane-1-carboxylate
Packaging: 250mg
Price: $118
Updated: 2021/12/16

Activate Scientific

Product number: AS49974
Product name: (S)-tert-Butyl 3-methyl-1,4-diazepane-1-carboxylate
Purity: 95% ee
Packaging: 5G
Price: $253
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: CCH0031852
Product name: (S)-TERT-BUTYL-3-METHYL-1,4-DIAZEPANE-1-CARBOXYLATE
Purity: 95.00%
Packaging: 1G
Price: $759.15
Updated: 2021/12/16

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(S)-1-BOC-2-METHYL-[1,4]DIAZEPANE Chemical Properties,Usage,Production

Chemical Properties

Yellow Oil

Uses

Hexahydro-2(S)-methyl-4-(t-butoxycarboxyl)-1,4-diazepine (cas# 194032-32-1) is a compound useful in organic synthesis.

Synthesis

949109-36-8

194032-32-1

（Steps for the synthesis of (S)-3-methyl-1,4-diazepane-1-carboxylic acid tert-butyl ester: 1. tert-Butyl (S)-3-methyl-4-((2-nitrophenyl)sulfonyl)-1,4-diazepane-1-carboxylate (2.60 kg, 6.51 mol) was dissolved in acetonitrile (20 L). 2. Potassium carbonate (1.79 kg, 13.0 mol) was added to the above solution. 3. Benzothiophenol (2.15 kg, 19.5 mol) was slowly added at a controlled internal temperature of 20 °C or lower for 6 h. After addition, the solution was dissolved in acetonitrile (20 L) at 20 °C or lower. 4. After addition, the reaction mixture was continued to be stirred at 20 °C for 18 hours. 5. The reaction was monitored by thin layer chromatography (TLC) to confirm complete consumption of the feedstock, the insoluble material was removed by filtration and the filtrate was concentrated under reduced pressure. 6. 6. The concentrated residue was dissolved in ice water and the pH was adjusted to 3 with 2N hydrochloric acid, followed by washing with ethyl acetate. 7. The aqueous layer was alkalized to pH 9 with potassium carbonate and extracted with ethyl acetate. 8. The organic layers were combined, dried with magnesium sulfate, filtered and concentrated under reduced pressure to give a yellow oily target product (1.20 kg, 85.7% yield). 9. The chemical purity of the product was 97.5% by gas chromatography analysis. 10. The product was converted to a methylsilyl chloride derivative and the optical purity was determined to be 99.9% ee. 11. The overall yield from (S)-(+)-2-amino-1-propanol to tert-butyl (S)-3-methyl-1,4-diazepane-1-carboxylate was 45.2%. 12. The structure of the product was confirmed by 1H-NMR (DMSO-d6, 100 °C), δ: 0.94 (d, J = 6.3 Hz, 3H), 1.40 (s, 9H), 1.53-1.63 (m, 1H), 1.69-1.78 (m, 1H), 2.42-2.49 (m, 1H), 2.60-2.68 (m, 1H). 2.70-2.79 (m, 1H), 2.97 (ddd, J = 14.0, 4.6, 4.6 Hz, 1H), 3.17 (ddd, J = 14.0, 7.7, 5.8 Hz, 1H), 3.54 (ddd, J = 14.0, 6.3, 5.8 Hz, 1H), 3.60 (ddd, J = 14.0, 4.6 Hz, 1H) .

References

[1] Synthesis (Germany), 2012, vol. 44, # 20, p. 3171 - 3178
[2] Patent: US2013/144054, 2013, A1. Location in patent: Paragraph 0084; 0085

(S)-1-BOC-2-METHYL-[1,4]DIAZEPANE Preparation Products And Raw materials

Raw materials

Preparation Products

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(S)-1-BOC-2-METHYL-[1,4]DIAZEPANE Suppliers

Canada 1 China 119 India 4 United States 7 Global 131

Suzhou Haiheng Biological Pharmaceutical Co., Ltd.

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Shanghai Boc Chemical Co.,Ltd

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Shanghai JONLN Reagent Co., Ltd.

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View Lastest Price from (S)-1-BOC-2-METHYL-[1,4]DIAZEPANE manufacturers

Shaanxi Dideu New Materials Co. Ltd

Product: (S)-1-BOC-2-METHYL-[1,4]DIAZEPANE 194032-32-1
Price: US $0.00/kg
Min. Order: 1kg
Purity: 98%
Supply Ability: 1000kg
Release date: 2025-09-29

WUHAN FORTUNA CHEMICAL CO., LTD

Product: (S)-tert-butyl 3-Methyl-1,4-diazepane-1-carboxylate 194032-32-1
Price: US $0.00/KG
Min. Order: 25KG
Purity: 98%min
Supply Ability: 30tons/month
Release date: 2023-02-08

Career Henan Chemical Co

Product: (S)-1-BOC-2-METHYL-[1,4]DIAZEPANE 194032-32-1
Price: US $7.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: JD 470
Release date: 2019-09-01

194032-32-1, (S)-1-BOC-2-METHYL-[1,4]DIAZEPANERelated Search:

(S)-1-BOC-2-METHYL-[1,4]DIAZEPANE

(S)-tert-butyl-3-Methyl-1,4-diazepane-1-carboxylate

(S)-Hexahydro-3-methyl-1H-1,4-Diazepine-1-carboxylic acid tert-butyl ester

(3S)-tert-butoxyl-3-Methyl-1-carbonyl-1,4-diazepine

(3S)-Hexahydro-3-Methyl-1H-1,4-diazepine-1-carboxylic Acid 1,1-DiMethylethyl Ester

(S)-tert-butoxyl-3-Methyl-1-carbonyl-1,4-diazepine

(S)-1-Boc-3-methyl-[1,4]diazepane

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

1H-1,4-Diazepine-1-carboxylic acid, hexahydro-3-methyl-, 1,1-dimethylethyl ester, (3S)-

2-Methyl-2-propanyl3-methyl-1,4-diazepane-1-carboxylate

1H-1,4-Diazepine-1-carboxylic acid, hexahydro-3-methyl-, 1,1-dimethylethyl ester, (S)-

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

Hexahydro-2(S)-methyl-4-(tert-butoxycarboxyl)-1,4-diazepine

diazepane

(S)-Hexahydro-3-methyl-1H-1,4-Diazepine-1-carboxylic acid te...

1,1-Dimethylethyl (3S)-hexahydro-3-methyl-1H-1,4-diazepine-1-carboxylate

(S)?-1-Boc-hexahydro-?3-?methyl-1H-?1,?4-?diazepine

(S)-tert-butyl 3-Methyl-1,4-diazepane-

tert-butyl (3S)-3-methyl-1,4-diazepane-1-carboxylate - [B22096]

(S)-Tert-buty1-3-Methy1-1,4-diazepane-1-carboxylate

tert-Butyl (3S)-hexahydro-3-methyl-1H-1,4-diazepin-1-carboxylate

194032-32-1

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