ChemicalBook > CAS DataBase List > (3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride
(3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride
- Product Name
- (3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride
- CAS No.
- 120205-48-3
- Chemical Name
- (3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride
- Synonyms
- tert-Butyl (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoate hydrochloride;DIL-HCl;Dil.HCI;EOS-60618;Dil-OtBu.HCl;H-Dil-Otbu.HCL;methylaminoheptan;Dolproline intermediate1;Dolaisoleucine-OBu-t.HCl;methylaminoheptanoatehydrochloride
- CBNumber
- CB02546135
- Molecular Formula
- C14H30ClNO3
- Formula Weight
- 295.85
- MOL File
- 120205-48-3.mol
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(3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride Property
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Solid
- color
- White to off-white
- InChI
- InChI=1/C14H29NO3.ClH/c1-8-10(2)13(15-6)11(17-7)9-12(16)18-14(3,4)5;/h10-11,13,15H,8-9H2,1-7H3;1H/t10-,11+,13-;/s3
- InChIKey
- JRXGCIIOQALIMZ-IPYRWZCONA-N
- SMILES
- [C@H](NC)([C@@H](C)CC)[C@H](OC)CC(=O)OC(C)(C)C.Cl |&1:0,3,7,r|
- CAS DataBase Reference
- 120205-48-3
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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
- M264395
- Product name
- (3R,4S,5S)-3-Methoxy-5-methyl-4-(methylamino)heptanoicAcid1,1-DimethylethylEsterHydrochloride
- Packaging
- 1g
- Price
- $5445
- Updated
- 2021/12/16
Medical Isotopes, Inc.
- Product number
- 52167
- Product name
- (3R,4S,5S)-3-Methoxy-5-methyl-4-(methylamino)heptanoicAcid1,1-DimethylethylEsterHCl
- Packaging
- 1g
- Price
- $5950
- Updated
- 2021/12/16
AK Scientific
- Product number
- Y1817
- Product name
- (3R,4S,5S)-tert-butyl3-methoxy-5-methyl-4-(methylamino)heptanoatehydrochloride
- Packaging
- 5g
- Price
- $1873
- Updated
- 2021/12/16
AK Scientific
- Product number
- Y1817
- Product name
- (3R,4S,5S)-tert-butyl3-methoxy-5-methyl-4-(methylamino)heptanoatehydrochloride
- Packaging
- 10g
- Price
- $2818
- Updated
- 2021/12/16
Medical Isotopes, Inc.
- Product number
- 52167
- Product name
- (3R,4S,5S)-3-Methoxy-5-methyl-4-(methylamino)heptanoicAcid1,1-DimethylethylEsterHCl
- Packaging
- 500mg
- Price
- $4200
- Updated
- 2021/12/16
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(3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride Chemical Properties,Usage,Production
Uses
(3R,4S,5S)-3-Methoxy-5-methyl-4-(methylamino)heptanoic Acid 1,1-Dimethylethyl Ester is an β-methoxy-γ-amino acid component of dolastatin 10, an antineoplastic agent.
Synthesis
120205-58-5
120205-48-3
General Procedure:(3R,4S,5S)-tert-butyl 4-(((benzyloxy)carbonyl)(methyl)amino)-3-methoxy-5-methylheptanoate (13.37 g, 33.98 mmol, 1 eq.) was dissolved in methanol (134 mL, 0.1 M), concentrated hydrochloric acid (3.1 mL, 37.4 mmol, 1.1 eq.) was added, and 10% palladium carbon (50% wet, 0.1 wt%, 1.34 g, 3.40 mmol). The reaction mixture was hydrogenated under 45 psi hydrogen pressure for 3 hours. Upon completion of the reaction, the hydrogen was replaced with nitrogen, the catalyst was removed by filtration through diatomaceous earth, and the filtrate was concentrated under reduced pressure to afford tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoate hydrochloride (9.20 g, 92% yield) as a white solid. The product was characterized by 1H NMR (400 MHz, CDCl3): δ 9.65 (br s, 1H), 8.97 (br s, 1H), 3.98-4.04 (m, 1H), 3.40 (s, 3H), 3.06-3.13 (br m, 1H), 2.82 (br dd, J=6,5 Hz, 3H), 2.74-2.80 (m 1H), 2.68 (dd, half of ABX mode, J=16.3,4.2 Hz, 1H), 2.00-2.10 (br m, 1H), 1.73-1.84 (m, 1H), 1.46 (s, 9H), 1.38-1.45 (m, 1H), 1.13 (d, J=7.0 Hz, 3H), 0.99 (t, J= 7.4 Hz, 3H).
References
[1] Patent: WO2013/72813, 2013, A2. Location in patent: Page/Page column 117
(3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride Preparation Products And Raw materials
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Preparation Products
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View Lastest Price from (3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride manufacturers
Dideu Industries Group Limited
- Product
- (3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride 120205-48-3
- Price
- US $1.10/g
- Min. Order
- 1g
- Purity
- 99.9%
- Supply Ability
- 100 Tons Min
- Release date
- 2021-07-05
Career Henan Chemical Co
- Product
- (3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride 120205-48-3
- Price
- US $1.00/g
- Min. Order
- 100EA
- Purity
- 99%
- Supply Ability
- G/KG/T
- Release date
- 2019-12-20
120205-48-3, (3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hlorideRelated Search:
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